SCHEMBL7112459

SCHEMBL7112459

CCc1cc(C#N)ccc1N=C=S

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP2A6 P11509 2/20 0.41
EGLN2 Q96KS0 1/20 0.40
PGR P06401 5/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
AR P10275 1/20 0.33
SETDB1 Q15047 1/20 0.33

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
SCHEMBL1966633 0.86 GABRA1 (0.42) GABRA1GABRB2CYP2A6EGLN2PGR
Hydrochloric Acid SCHEMBL7120634 0.85 GABRA1 (0.41) GABRA1GABRB2CYP2A6EGLN2PGR
SCHEMBL28746658 0.84 TSHR (0.39) GABRA1GABRB2CYP2A6EGLN2ALDH1A1
SCHEMBL7122086 0.79 ALDH1A1 (0.39) CYP2A6EGLN2ALDH1A1LMNASLC6A4
SCHEMBL17009987 0.79 GABRA1 (0.47) GABRA1GABRB2CYP2A6ALDH1A1LMNA
SCHEMBL332762 0.79 GABRA1 (0.47) GABRA1GABRB2ALDH1A1LMNASLC6A4
SCHEMBL11512007 0.79 GABRA1 (0.47) GABRA1GABRB2ALDH1A1LMNASLC6A4
SCHEMBL26990357 0.78 CYP2A6 (0.40) CYP2A6EGLN2PGRABCC9ABCC8
SCHEMBL14008752 0.77 GABRA1 (0.50) GABRA1GABRB2ALDH1A1LMNAHTR2A
SCHEMBL27527095 0.77 CYP2A6 (0.39) CYP2A6EGLN2PGRABCC9ABCC8

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
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN 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

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 GABRA1 357/4885GABRB2 278/4885CYP2A6 182/4885

“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.