SCHEMBL4090795

SCHEMBL4090795

C=C(C)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
RORC P51449 7/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
PPARG P37231 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL16954410 0.86 HSD17B10 (0.60) HSD17B10RORCKMT2AMEN1MAPT
SCHEMBL1762503 0.84 KMT2A (0.61) HSD17B10RORCKMT2AMEN1MAPT
SCHEMBL14732029 0.83 HSD17B10 (0.61) HSD17B10RORCKMT2AMEN1MAPT
SCHEMBL16951753 0.82 HSD17B10 (0.51) HSD17B10RORCKMT2AMEN1MAPT
SCHEMBL13689889 0.81 L3MBTL1 (0.61) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL10953243 0.80 HSD17B10 (0.62) HSD17B10RORCKMT2AMEN1MAPT
SCHEMBL16959247 0.80 HSD17B10 (0.53) HSD17B10RORCKMT2AMEN1MAPT
SCHEMBL4327681 0.79 ALDH1A1 (0.53) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL31246234 0.79 ALDH1A1 (0.53) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16957941 0.79 HSD17B10 (0.51) HSD17B10RORCKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
EP-1891048-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vernalis (R&D) Limited (GB) 2008-02-27 EP disclosed
WO-2006134318-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2006-12-21 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 HSD17B10 2312/4885RORC 1960/4885KMT2A 859/4885

“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.