SCHEMBL16088686

SCHEMBL16088686

C#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.71
CYP3A4 P08684 2/20 0.71
ALOX12 P18054 1/20 0.71
LMNA P02545 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
P4HB P07237 1/20 0.55
PPARG P37231 1/20 0.54
ATM Q13315 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
GAA P10253 1/20 0.51
MAOB P27338 1/20 0.51
CYP1A2 P05177 2/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL13927147 0.89 ALDH1A1 (0.69) CYP2C9CYP3A4ALOX12LMNAKMT2A
SCHEMBL16127944 0.85 CYP2C9 (0.71) CYP2C9CYP3A4ALOX12LMNAKMT2A
SCHEMBL16088669 0.85 CHRNB2 (0.58) CYP2C9CYP3A4ALOX12LMNAKMT2A
SCHEMBL13927049 0.81 MAOB (0.49) CYP2C9CYP3A4ALOX12KMT2AMEN1
SCHEMBL13692705 0.81 MAOB (0.49) CYP2C9CYP3A4ALOX12KMT2AMEN1
SCHEMBL12163156 0.80 LMNA (0.68) LMNAKMT2AMEN1MAOBKDM4E
SCHEMBL14426486 0.80 CYP2C9 (0.78) CYP2C9CYP3A4ALOX12LMNAKMT2A
SCHEMBL6053692 0.80 CYP2C9 (0.78) CYP2C9CYP3A4ALOX12LMNAKMT2A
SCHEMBL836637 0.79 HPGD (0.68) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL13927107 0.79 GBA1 (0.49) CYP2C9CYP3A4ALOX12KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 US disclosed
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 US 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 (2 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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CYP2C9 4842/4885CYP3A4 4772/4885ALOX12 397/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CYP2C9 4842/4885CYP3A4 4772/4885ALOX12 397/4885

“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.