SCHEMBL6420468

SCHEMBL6420468

Cc1cccc(-n2nc(C)cc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
RPA1 P27694 1/20 0.55
GAA P10253 1/20 0.51
TSHR P16473 4/20 0.51
KMT2A Q03164 4/20 0.50
NTRK1 P04629 1/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
MDM2 Q00987 1/20 0.49
MEN1 O00255 2/20 0.49
NOTUM Q6P988 1/20 0.47
LMNA P02545 1/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL1259093 0.87 ALDH1A1 (0.66) ALDH1A1GAATSHRKMT2ANTRK1
SCHEMBL15428639 0.86 ALDH1A1 (0.60) ALDH1A1RPA1GAATSHRKMT2A
SCHEMBL25883561 0.86 TSHR (0.50) ALDH1A1GAATSHRKMT2ANTRK1
SCHEMBL20028012 0.85 KMT2A (0.53) ALDH1A1RPA1GAATSHRKMT2A
SCHEMBL6413900 0.85 KMT2A (0.54) ALDH1A1GAATSHRKMT2ANTRK1
SCHEMBL5698206 0.84 F10 (0.56) ALDH1A1GAATSHRKMT2AGRN
SCHEMBL18623144 0.82 KLKB1 (0.52) ALDH1A1GAATSHRKMT2AGRN
SCHEMBL16749343 0.82 GRN (0.76) ALDH1A1RPA1GAAKMT2AGRN
SCHEMBL1340789 0.82 KMT2A (0.58) ALDH1A1GAATSHRKMT2ANTRK1
SCHEMBL17064841 0.81 KLKB1 (0.67) ALDH1A1GAATSHRKMT2ALMNA

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT ALDH1A1 360/4885RPA1 4345/4885GAA 1397/4885

“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.