SCHEMBL7424324

SCHEMBL7424324

CCc1cc(C=O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 9/20 0.40
PRKCI P41743 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FDPS P14324 1/20 0.37
ALDH1A3 P47895 4/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SREBF1 P36956 1/20 0.36
SREBF2 Q12772 1/20 0.36
ALDH3A1 P30838 3/20 0.35
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL29954489 1.00 CYP1A2 (0.44) CYP1A2POLBALDH1A1PRKCISMN1; SMN2
SCHEMBL29951723 0.85 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EALDH1A3LMNA
SCHEMBL7426398 0.85 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EALDH1A3LMNA
SCHEMBL28787234 0.82 KDM4E (0.39) CYP1A2ALDH1A1SMN1; SMN2KDM4EFDPS
SCHEMBL13706049 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EFDPSALDH1A3
SCHEMBL20276120 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EFDPS
SCHEMBL29956230 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EFDPS
SCHEMBL321696 0.80 CYP1A2 (0.44) CYP1A2POLBALDH1A1PRKCIKDM4E
SCHEMBL29955237 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EFDPS
Bromide SCHEMBL28155749 0.78 CYP1A2 (0.43) CYP1A2POLBALDH1A1PRKCIKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104448700-B Resin combination 味之素株式会社 2019-01-22 CN disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
EP-1691610-B1 METHOD FOR MODIFYING THE BEHAVIOUR OF THRIPS WITH PYRIDINE DERIVATIVES NZ INST PLANT & FOOD RES LTD (NZ) 2016-03-09 EP disclosed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 US disclosed
CN-104448700-A Resin composition AJINOMOTO KK 2015-03-25 CN disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
CN-1379777-A Amino-triazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed
EP-0129791-A2 Tetrahydropyridazinone derivatives, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1985-01-02 EP 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 (1 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-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 CYP1A2 394/4885POLB 1606/4885ALDH1A1 774/4885

“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.