SCHEMBL7124314

SCHEMBL7124314

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 20/20 0.52
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRNB2 P17787 1/20 0.39
CYP2B6 P20813 1/20 0.39
MAOA P21397 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL7120443 0.84 NOTUM (0.42) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL7119172 0.73 P2RX7 (0.34) NOTUMHTR3A
SCHEMBL8436824 0.73 CYP3A4 (0.40)
SCHEMBL10834370 0.72 NOTUM (0.34) NOTUM
SCHEMBL15850524 0.72 NOTUM (0.61) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL11878778 0.69 NOTUM (0.51) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21776898 0.68 NOTUM (0.57) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21792172 0.68 NOTUM (1.00) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL11301480 0.68 ALDH1A1 (0.32)
SCHEMBL29954401 0.68 PDE2A (0.44)

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
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
EP-0192150-A2 1-Acyl-1-phenyl ureas BAYER AG (DE) 1986-08-27 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 NOTUM 4584/4885CYP1A2 105/4885CYP2C9 266/4885

“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.