SCHEMBL675472

SCHEMBL675472

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(O)cc3)cc2c2ccc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
HTR6 P50406 4/20 0.40
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ACLY P53396 4/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3668236 0.93 HTR6 (0.46) SRCHTR6HSD17B1HSD17B2PSEN1
SCHEMBL675245 0.86 HTR6 (0.45) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL679106 0.82 SRC (0.48) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL3669859 0.82 ALDH1A1 (0.39) SRC
SCHEMBL675280 0.81 HTR6 (0.44) SRCHTR6ACLYPPARGPPARD
SCHEMBL676610 0.81 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL675829 0.81 SRC (0.45) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL676293 0.80 NPC1 (0.45) HTR6
SCHEMBL675183 0.80 HTR6 (0.47) SRCHTR6HSD17B1HSD17B2PSEN1
SCHEMBL675896 0.79 SRC (0.40) SRCHTR6PSEN1PSEN2APH1B

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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 SRC 178/4885HTR6 4762/4885HSD17B1 2158/4885

“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.