SCHEMBL17336404

SCHEMBL17336404

COc1cc(N(C)C(=O)CCl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPX4 P36969 1/20 0.43
MAPT P10636 1/20 0.42
CDK8 P49336 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
RNF4 P78317 1/20 0.39
HCRTR2 O43614 3/20 0.38
HCRTR1 O43613 2/20 0.38
CCR1 P32246 1/20 0.37
KMO O15229 1/20 0.37
GRM4 Q14833 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL17336378 0.88 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2GPX4MAPT
SCHEMBL17336391 0.87 ALDH1A1 (0.41) ALDH1A1MAPTCDK8CLK4L3MBTL1
SCHEMBL23723627 0.82 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2HDAC6
SCHEMBL30120738 0.82 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2HDAC6
SCHEMBL520092 0.79 LMNA (0.44) ALDH1A1HTTSMN1; SMN2GPX4MAPT
SCHEMBL9732732 0.79 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL11030800 0.77 HSD17B2 (0.56)
SCHEMBL19879909 0.76 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL9836984 0.75 GRM4 (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1KDM4E
SCHEMBL26660394 0.75 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MAPTL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154634-B1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE UNIV LILLE (FR) 2021-02-24 EP disclosed
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2019-06-18 US disclosed
US-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE Université de Lille (FR) 2017-07-06 US disclosed
EP-3154634-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-04-19 EP disclosed
WO-2015189330-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2015-12-17 WO 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 (2 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-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE CYP3A43, CYP51A1, CYP3A7 ALDH1A1 436/4885HTT 3734/4885SMN1; SMN2 2642/4885
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use CYP3A43, CYP51A1, CYP3A7 ALDH1A1 436/4885HTT 3734/4885SMN1; SMN2 2642/4885

“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.