SCHEMBL398552

SCHEMBL398552

CN1CCN(Cc2ccc(-c3ccccc3)s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MC4R P32245 1/20 0.53
CHKA P35790 1/20 0.50
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
SRC P12931 1/20 0.44
AR P10275 1/20 0.43
CHRNA7 P36544 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28321103 0.86 KDM4E (0.56) KDM4ETDP1MC4RCHKASRC
SCHEMBL4307358 0.84 CYP2E1 (0.53) KDM4ETDP1CYP2E1CYP3A4CYP2A6
SCHEMBL13940574 0.84 KMT2A (0.47) KDM4ETDP1CHKACYP2E1CYP3A4
SCHEMBL11627032 0.83 DRD4 (0.57) KDM4ECYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2368529 0.83 AR (0.59) KDM4ECYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL12420819 0.81 ALDH1A1 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL28321105 0.81 KDM4E (0.54) KDM4ETDP1MC4RCHKACYP3A4
SCHEMBL11625572 0.80 HTR7 (0.59) KDM4ETDP1ARDRD4DRD3
SCHEMBL13616489 0.80 L3MBTL1 (0.47) KDM4ETDP1CYP2E1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL2197173 0.80 ALDH1A1 (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2024-12-03 US disclosed
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2024-09-03 US disclosed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed
US-11406617-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2022-08-09 US disclosed
US-20220041547-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection INTERVET INC. (US) 2022-02-10 US disclosed
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2021-11-11 US disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDM4E 1830/4885TDP1 1335/4885MC4R 4235/4885
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 KDM4E 3966/4885TDP1 3014/4885MC4R 3929/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDM4E 1355/4885TDP1 1462/4885MC4R 4123/4885
US-20220041547-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection SORD, HEXD, SNRPD1 KDM4E 3966/4885TDP1 3014/4885MC4R 3929/4885
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, PPARD KDM4E 4510/4885TDP1 4347/4885MC4R 3638/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 KDM4E 3606/4885TDP1 3210/4885MC4R 3841/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 KDM4E 3293/4885TDP1 779/4885MC4R 3626/4885
US-11406617-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD KDM4E 4185/4885TDP1 4433/4885MC4R 3483/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD KDM4E 4510/4885TDP1 4347/4885MC4R 3638/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 1422/4885TDP1 339/4885MC4R 1371/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 KDM4E 4293/4885TDP1 4615/4885MC4R 3803/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.