SCHEMBL2690900

SCHEMBL2690900

CCOC(=O)c1cccc(N2C[C@@H]3C(N)[C@@H]3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.46
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46
ESRRA P11474 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PRMT1 Q99873 1/20 0.42

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
SCHEMBL2690896 1.00 ATM (0.53) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL2690898 1.00 ATM (0.53) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2693239 0.92 ATM (0.47) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL2823924 0.90 ATM (0.55) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL14879672 0.85 ATM (0.56) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL4635913 0.84 HTT (0.54) SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL6501171 0.82 ATM (0.56) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL14881542 0.81 ALOX5 (0.56) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL22849912 0.80 ATM (0.48) ATMSMN1; SMN2ALOX5ALDH1A1LMNA
SCHEMBL6506787 0.80 ATM (0.51) ATMSMN1; SMN2ALOX5ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ATM 956/4885SMN1; SMN2 4646/4885ALOX5 3085/4885

“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.