SCHEMBL7119172

SCHEMBL7119172

[C-]#[N+]c1ccc(C(F)(F)F)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
CLCN2 P51788 1/20 0.33
AR P10275 2/20 0.31
EPAS1 Q99814 1/20 0.30
NOTUM Q6P988 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL29955036 0.73 CYP1A2 (0.39) AR
SCHEMBL7124314 0.73 NOTUM (0.52) NOTUMHTR3A
SCHEMBL8350547 0.71 TNF (0.33)
SCHEMBL8436824 0.70 CYP3A4 (0.40)
SCHEMBL2991016 0.70 NOTUM (0.41) P2RX7CLCN2NOTUMHTR3EHTR3B
SCHEMBL30524329 0.70 NOTUM (0.41) P2RX7CLCN2NOTUMHTR3EHTR3B
SCHEMBL7120443 0.69 NOTUM (0.42) NOTUMHTR3A
SCHEMBL9392558 0.69 EPAS1 (0.40) P2RX7CLCN2AREPAS1NOTUM
SCHEMBL11878190 0.68 CLCN2 (0.40) P2RX7CLCN2NOTUM
SCHEMBL3663843 0.67 ALDH1A1 (0.39) AR

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
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-5981438-A HERBICIDE, INSECTICIDE AND PESTICIDE NIHON BAYER AGROCHEM K.K. (JP) 1999-11-09 US disclosed
EP-0855394-A1 1-Phenyl-5-anilinotetrazoles derivatives, their preparation and their use as microbiocides, insecticides and/or herbicides NIHON BAYER AGROCHEM K.K. (JP) 1998-07-29 EP 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 P2RX7 187/4885CLCN2 3975/4885AR 23/4885

“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.