SCHEMBL16871347

SCHEMBL16871347

C=CCC(O)(c1ccco1)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ CASR P41180 8/20 0.40
▸ KMT2A Q03164 6/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ LMNA P02545 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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 0.81 CASR (0.46) MAPTCASRKMT2AMEN1LMNA
SCHEMBL16871050 0.76 CASR (0.45) MAPTCASRKMT2AMEN1LMNA
SCHEMBL16871195 0.75 KCNA5 (0.43) MAPTCASRKMT2ARAB9ANPC1
SCHEMBL29033625 0.68 CASR (0.43) MAPTCASRKMT2ANPC1MEN1
SCHEMBL29033640 0.68 CASR (0.46) MAPTCASRKMT2ARAB9ANPC1
SCHEMBL29033658 0.67 CASR (0.46) MAPTCASRKMT2AMEN1LMNA
SCHEMBL28013742 0.66 CASR (0.54) MAPTCASRKMT2ARAB9ANPC1
SCHEMBL29033642 0.65 CASR (0.46) MAPTCASRKMT2ARAB9ANPC1
SCHEMBL16871004 0.65 CASR (0.43) MAPTCASRKMT2ARAB9ANPC1
SCHEMBL9616922 0.65 MAPT (0.65) MAPTKMT2AALDH1A1KDM4ESMN1; 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 MAPT 3874/4885CASR 3720/4885KMT2A 793/4885

“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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