SCHEMBL402535

SCHEMBL402535

C(#Cc1ccc(-c2ccc[nH]2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
MAPT P10636 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRM5 P41594 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KCNH2 Q12809 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
FFAR1 O14842 1/20 0.36
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27462334 0.81 HDAC1 (0.50) HDAC1HDAC6CYP1A2HCAR2NOTUM
SCHEMBL80142 0.80 HDAC1 (0.48) MAPTHDAC1HDAC6HCAR2NOTUM
SCHEMBL9419852 0.80 HDAC6 (0.57) HDAC1HDAC6HCAR2
Fluoride SCHEMBL27588272 0.79 HDAC1 (0.48) HDAC1HDAC6CYP1A2HCAR2NOTUM
SCHEMBL28212557 0.78 HDAC1 (0.47) MAPTHDAC1HDAC6HCAR2NOTUM
Fluoride SCHEMBL30394298 0.78 HDAC1 (0.47) MAPTHDAC1HDAC6HCAR2NOTUM
SCHEMBL27882289 0.78 HDAC1 (0.47) MAPTHDAC1HDAC6HCAR2NOTUM
SCHEMBL27515517 0.78 HDAC1 (0.47) MAPTHDAC1HDAC6HCAR2NOTUM
SCHEMBL28506211 0.78 HDAC1 (0.44) HDAC1HDAC6CA12CA1CA2
SCHEMBL5949303 0.75 APP (0.75) APPMAPTGRM5CYP1A2CYP1A1

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 130 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
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
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-20220202786-A1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2022-06-30 US disclosed
US-11202775-B2 Methods for treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2021-12-21 US disclosed
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
EP-2214485-B1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2016-07-20 EP disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP 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-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 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 (8 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 APP 4860/4885MAPT 3948/4885HDAC1 737/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF APP 4841/4885MAPT 3981/4885HDAC1 869/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 APP 3766/4885MAPT 3822/4885HDAC1 2875/4885
US-11202775-B2 Methods for treatment of cancer TP53, TOP2B, BRCA1 APP 4790/4885MAPT 4101/4885HDAC1 292/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 APP 4542/4885MAPT 1941/4885HDAC1 663/4885
US-20220202786-A1 METHODS FOR TREATMENT OF CANCER TP53, TOP2B, BRCA1 APP 4790/4885MAPT 4101/4885HDAC1 292/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 APP 4623/4885MAPT 3409/4885HDAC1 377/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 APP 1100/4885MAPT 61/4885HDAC1 4796/4885

“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.