SCHEMBL674656

SCHEMBL674656

COc1ccc(-c2ccc3c(n2)[nH]c2ccc(CCNC(=O)c4ccccc4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 3/20 0.52
KMT2A Q03164 4/20 0.49
TRPV1 Q8NER1 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
TACR3 P29371 1/20 0.49
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
THRB P10828 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
NQO2 P16083 1/20 0.47

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
SCHEMBL676446 0.91 MEN1 (0.45) MAPTTP53KMT2ATRPV1MEN1
SCHEMBL674926 0.84 TRPV1 (0.52) MAPTTP53KMT2ATRPV1ALDH1A1
SCHEMBL676445 0.83 MMP2 (0.42) MAPTTP53KMT2AALDH1A1MEN1
SCHEMBL676050 0.81 KDM4E (0.48) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL676129 0.81 KMT2A (0.51) MAPTTP53KMT2ATRPV1ALDH1A1
SCHEMBL698444 0.80 SMN1; SMN2 (0.54) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL675853 0.80 ALDH1A1 (0.51) MAPTTP53KMT2AALDH1A1MEN1
SCHEMBL675502 0.80 RAB9A (0.47) MAPTTP53KMT2AALDH1A1MEN1
SCHEMBL675622 0.76 HDAC2 (0.41) MAPTTP53KMT2AALDH1A1MEN1
SCHEMBL675623 0.76 HDAC2 (0.41) MAPTTP53KMT2AALDH1A1MEN1

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 MAPT 1494/4885TP53 243/4885KMT2A 492/4885

“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.