SCHEMBL11920168

SCHEMBL11920168

Cc1cccc([N+](=O)[O-])c1SC#N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KCNMA1 Q12791 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
SCHEMBL11569981 0.80 PDE7A (0.46) TSHRSMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL16049739 0.80 TDP1 (0.41) TSHRSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL31063677 0.80 ALDH1A1 (0.56) SMN1; SMN2TDP1L3MBTL1ALDH1A1HPGD
SCHEMBL699870 0.79 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL16707458 0.78 TSHR (0.41) TSHRALDH1A1MAPT
SCHEMBL2762222 0.76 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1GPR35
SCHEMBL28482559 0.75 HSD17B10 (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL700631 0.74 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL21445761 0.73 TDP1 (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
Acetonitrile SCHEMBL28203864 0.73 HSD17B10 (0.80) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024200263-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS α-SYNUCLEIN BINDING COMPOUNDS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-10-03 WO disclosed
EP-4438597-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS A-SYNUCLEIN BINDING COMPOUNDS Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2024-10-02 EP disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 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 (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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 TSHR 4638/4885SMN1; SMN2 4708/4885HSD17B10 1467/4885

“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.