SCHEMBL16022012

SCHEMBL16022012

Cc1ccc(N)cc1OC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 9/20 0.46
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.40
PDE10A Q9Y233 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 4/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR4A1 P22736 1/20 0.37
PLA2G7 Q13093 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 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
SCHEMBL18562058 0.85 ALDH1A1 (0.45) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL28308098 0.84 ALDH1A1 (0.46) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL97154 0.79 TSHR (0.44) TSHRALDH1A1MAPTGAALMNA
SCHEMBL7290933 0.79 ALDH1A1 (0.36) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL2624853 0.78 ALDH1A1 (0.44) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL28342821 0.76 CYP3A4 (0.42) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL26363682 0.76 ALDH1A1 (0.34) ALDH1A1CYP3A4MAPTKDM4ELMNA
Benzene SCHEMBL28104497 0.76 TSHR (0.46) TSHRALDH1A1KDM4EGAALMNA
SCHEMBL16574317 0.76 MAOB (0.41) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL27792581 0.76 FFAR1 (0.41) ALDH1A1MAPTKDM4EHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782406-B2 Kinase inhibitor and method for treatment of related diseases PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2017-10-10 US disclosed
EP-1561743-B1 COMPOUND PROTECTING AGAINST ULTRAVIOLET LEAD CHEM CO LTD (JP) 2017-01-04 EP disclosed
US-20150352109-A1 KINASE INHIBITOR AND METHOD FOR TREATMENT OF RELATED DISEASES BEIJING RECIPROCAPHARMACEUTICALS CO. LTD. (CN) 2015-12-10 US disclosed
US-9150522-B2 Kinase inhibitor and method for treatment of related diseases PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2015-10-06 US disclosed
US-20140256759-A1 KINASE INHIBITOR AND METHOD FOR TREATMENT OF RELATED DISEASES PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2014-09-11 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-20140256759-A1 KINASE INHIBITOR AND METHOD FOR TREATMENT OF RELATED DISEASES BTK, TYK2, JAK2 CASP1 1506/4885TSHR 1535/4885ALDH1A1 4751/4885
US-20150352109-A1 KINASE INHIBITOR AND METHOD FOR TREATMENT OF RELATED DISEASES BTK, TYK2, JAK2 CASP1 1506/4885TSHR 1535/4885ALDH1A1 4751/4885

“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.