SCHEMBL13635445

SCHEMBL13635445

Cc1cccc(-n2cc(-c3cccc(CO)c3)ccc2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHEK1 O14757 1/20 0.42
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PRKCI P41743 1/20 0.39
COMT P21964 2/20 0.39
IDH1 O75874 1/20 0.39
MAP2K4 P45985 1/20 0.39
TGFBR1 P36897 1/20 0.38

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
SCHEMBL14883627 0.90 KDM4E (0.42) CHEK1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL10059871 0.87 ACMSD (0.47) CYP2C9NR4A2KCNH2DHODHKDM4E
SCHEMBL10059939 0.83 IDH1 (0.44) CYP2C9CHEK1KDM4EALDH1A1CYP1A2
SCHEMBL10059882 0.81 MKNK1 (0.48) KMT2ARAB9A
SCHEMBL10059948 0.81 ALDH1A1 (0.53) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10059890 0.81 PRKCI (0.57) CYP2C9NR4A2KCNH2CHEK1DHODH
SCHEMBL10059924 0.80 KDM4E (0.43) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL14883623 0.80 TNKS2 (0.47) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10059940 0.79 MAPT (0.40) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10059941 0.79 PARP1 (0.51) NR4A2DHODHKDM4EALDH1A1CYP1A2

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-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 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 (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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 CYP2C9 4574/4885NR4A2 1034/4885KCNH2 4754/4885

“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.