SCHEMBL16871004

SCHEMBL16871004

OC(C/C=C/c1ccccc1)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.43
▸ FSCN1 Q16658 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL16871130 0.83 CASR (0.46) CASRMEN1MAPTKMT2ASLC13A5
SCHEMBL16871360 0.77 CASR (0.48) CASRSMN1; SMN2NPC1RAB9APTPN1
SCHEMBL16871195 0.72 KCNA5 (0.43) CASRMEN1MAPTKMT2ANPC1
SCHEMBL3640747 0.69 CASR (0.45) CASRMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL30892233 0.68 CASR (0.43) CASRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29281783 0.68 CASR (0.43) CASRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28710154 0.67 CASR (0.52) CASRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29449583 0.67 CASR (0.52) CASRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29033640 0.67 CASR (0.46) CASRMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29033625 0.67 CASR (0.43) CASRMEN1MAPTKMT2ANPC1

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-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — US disclosed
US-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — 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-20150183772-A1 ALKYLATION OF AZOLES AKR1C3, DCXR, AKR1C2 CASR 3720/4885FSCN1 2778/4885MEN1 1377/4885

“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.

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