SCHEMBL674811

SCHEMBL674811

O=C(CSC1=NCCS1)c1ccc2[nH]c3nccc(Cl)c3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALK Q9UM73 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ERBB2 P04626 1/20 0.39
PTK6 Q13882 1/20 0.39
PKM P14618 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL675381 0.83 MAPT (0.58) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3664792 0.81 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL675345 0.81 CA1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AALK
SCHEMBL676353 0.79 RAB9A (0.50) ALDH1A1MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL13464069 0.78 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3666694 0.77 ERBB2 (0.43) ALDH1A1MAPTRAB9AERBB2PTK6
SCHEMBL3668534 0.76 ERBB2 (0.42) MAPTKMT2AALKNPC1RAB9A
SCHEMBL3668532 0.76 TLR9 (0.42) ALDH1A1ALKNPC1RAB9AERBB2
SCHEMBL14408081 0.76 MAPT (0.73) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3666388 0.76 GCGR (0.64) ALDH1A1MAPTSMN1; SMN2KMT2AMAPK1

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 ALDH1A1 749/4885MAPT 1494/4885LMNA 1863/4885

“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.