SCHEMBL679371

SCHEMBL679371

O=C(CSc1ccccn1)c1ccc2[nH]c3ncccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
PKM P14618 2/20 0.56
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 5/20 0.54
HPGD P15428 5/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 1/20 0.44
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RGS12 O14924 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 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
SCHEMBL674213 0.87 ALDH1A1 (0.50) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL675624 0.86 ALDH1A1 (0.49) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL676353 0.85 RAB9A (0.50) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL677720 0.80 MEN1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL675148 0.79 MEN1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL678627 0.77 CYP1A2 (0.50) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL677968 0.77 MAPT (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL678859 0.77 KDM4E (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL676547 0.76 GSK3B (0.55) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL677456 0.75 ALK (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD

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 4 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-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
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

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 ALDH1A1 749/4885PKM 858/4885RAB9A 2539/4885

“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.