SCHEMBL16871195

SCHEMBL16871195

C=CCC(O)(c1cccnc1)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CASR P41180 10/20 0.41
▸ SCD O00767 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ILK Q13418 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
SCHEMBL16871130 0.87 CASR (0.46) CASRMEN1KMT2AL3MBTL1TP53
SCHEMBL17895625 0.82 CASR (0.44) KCNA5NPC1RAB9ACASRSCD
SCHEMBL11493107 0.78 KCNA5 (0.59) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16871050 0.75 CASR (0.45) CASRMEN1KMT2APOLBL3MBTL1
SCHEMBL16871347 0.75 MAPT (0.47) NPC1RAB9ACASRMEN1KMT2A
SCHEMBL16871004 0.72 CASR (0.43) NPC1RAB9ACASRMEN1KMT2A
SCHEMBL11784207 0.70 KCNA5 (0.47) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17895705 0.70 RORC (0.39) KCNA5NPC1RAB9ACYP1A2CYP3A4
SCHEMBL29033640 0.69 CASR (0.46) NPC1RAB9ACASRMEN1KMT2A
SCHEMBL29033625 0.69 CASR (0.43) NPC1CASRMEN1KMT2AL3MBTL1

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 KCNA5 1089/4885NPC1 2922/4885RAB9A 4280/4885

“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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