SCHEMBL404359

SCHEMBL404359

NCCNC(=O)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAOB P27338 1/20 0.58
GRM5 P41594 2/20 0.58
MEN1 O00255 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
SPHK2 Q9NRA0 1/20 0.52
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PTGES O14684 1/20 0.49
TERT O14746 2/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL731620 0.84 CYP1A2 (0.67) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL1928914 0.84 NAAA (0.55) NFKB1GRM5MEN1KMT2ALMNA
SCHEMBL4531571 0.83 GRM5 (0.46) CYP1A2TSHRNFKB1MAOBGRM5
Hydrochloric Acid SCHEMBL1579939 0.83 MEN1 (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3641083 0.83 GRM5 (0.53) GRM5LMNAPOLBDRD2DRD4
SCHEMBL16151550 0.83 HDAC2 (0.69) NFKB1GRM5MEN1KMT2ANPC1
SCHEMBL3861146 0.82 MAOB (0.81) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL18759244 0.81 NPC1 (0.64) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL1245952 0.81 CYP1A2 (0.64) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3641758 0.81 NAAA (0.65) TSHRGRM5MEN1KMT2ALMNA

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 140 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-20220202786-A1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2022-06-30 US disclosed
US-20220041547-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection INTERVET INC. (US) 2022-02-10 US disclosed
WO-2004111058-A1 HETERORYL-FUSED PYRIMIDINYL COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-23 WO disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 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
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 CYP1A2 1597/4885TSHR 3584/4885NFKB1 1275/4885
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 CYP1A2 1514/4885TSHR 2518/4885NFKB1 2305/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF CYP1A2 1518/4885TSHR 3487/4885NFKB1 1196/4885
US-20220041547-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection SORD, HEXD, SNRPD1 CYP1A2 1514/4885TSHR 2518/4885NFKB1 2305/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 CYP1A2 3998/4885TSHR 3937/4885NFKB1 3285/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 CYP1A2 1517/4885TSHR 2100/4885NFKB1 2406/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 CYP1A2 3216/4885TSHR 3873/4885NFKB1 2110/4885
US-11406617-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD CYP1A2 2300/4885TSHR 1399/4885NFKB1 2083/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD CYP1A2 995/4885TSHR 1330/4885NFKB1 2115/4885
US-20220202786-A1 METHODS FOR TREATMENT OF CANCER TP53, TOP2B, BRCA1 CYP1A2 2432/4885TSHR 3969/4885NFKB1 1424/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 CYP1A2 2534/4885TSHR 1591/4885NFKB1 1659/4885

“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.