SCHEMBL16871014

SCHEMBL16871014

O=C(c1ccccc1)C1Sc2ccccc2N1C/C=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.44
▸ BCHE P06276 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PAM P19021 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL16871129 0.83 GSK3B (0.40) BCHEALDH1A1POLBSMN1; SMN2
SCHEMBL11073006 0.70 BCHE (0.41) BCHEALDH1A1SMN1; SMN2
SCHEMBL16871051 0.65 ALDH1A1 (0.44) MCHR1BCHEALDH1A1ALDH3A1RCE1
SCHEMBL19076255 0.65 ALDH1A1 (0.53) BCHEALDH1A1ALDH3A1RCE1HSD17B10
SCHEMBL28168110 0.63 NOX1 (0.41) BCHEPOLB
SCHEMBL27893554 0.62 GSK3B (0.41) BCHEALDH1A1SMN1; SMN2
SCHEMBL28131846 0.61 NOX1 (0.42) BCHESMN1; SMN2
(Z)-1,2-Diphenylethene SCHEMBL27764636 0.60 ALDH1A1 (0.70) BCHEALDH1A1PAMSMN1; SMN2
SCHEMBL1158301 0.60 PAM (0.68) BCHEALDH1A1PAMSMN1; SMN2
SCHEMBL1158302 0.60 PAM (0.68) BCHEALDH1A1PAMSMN1; SMN2

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 MCHR1 2903/4885BCHE 4026/4885ALDH1A1 877/4885

“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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