SCHEMBL762897

SCHEMBL762897

C#Cc1ccc(-n2c(-c3ccc(C)cc3)nc3c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MPO P05164 1/20 0.39
DHFR P00374 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
MDM2 Q00987 1/20 0.36
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL2585148 0.88 ALDH1A1 (0.49) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL27412107 0.85 ALDH1A1 (0.49) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL1696798 0.85 ALDH1A1 (0.52) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL2586996 0.83 MAPT (0.52) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL763102 0.80 KDM4E (0.47) ALDH1A1RAB9ALMNAGAAMPO
SCHEMBL762904 0.80 ALDH1A1 (0.45) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL29321146 0.80 ALDH1A1 (0.45) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL763109 0.80 ALDH1A1 (0.43) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL21195750 0.80 MEN1 (0.48) ALDH1A1NPSR1RAB9ALMNAGAA
SCHEMBL31109976 0.80 MEN1 (0.48) ALDH1A1NPSR1RAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138303-B2 Polymers BASF SE (DE) 2012-03-20 US disclosed
US-20100249349-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2010-09-30 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-20100249349-A1 Novel Polymers OCIAD2, OCIAD1, SLCO4C1 ALDH1A1 478/4885NPSR1 3276/4885RAB9A 1601/4885

“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.