Sugi Predict

Sugi Predict / Compounds / SCHEMBL7115398

SCHEMBL7115398

SCHEMBL7115398

Cc1cnccc1N=C=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.49
▸ APLNR P35414 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 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
SCHEMBL7116943 0.80 TRPA1 (0.49) TRPA1ALDH1A1CYP1A2CYP3A4TDP1
SCHEMBL31234097 0.76 LOXL2 (0.38) TRPA1APLNRALDH1A1CYP1A2CYP3A4
SCHEMBL26120655 0.76 LOXL2 (0.38) TRPA1APLNRALDH1A1CYP1A2CYP3A4
SCHEMBL6302179 0.76 GAA (0.42) TRPA1APLNRALDH1A1CYP1A2CYP3A4
SCHEMBL15770639 0.76 APLNR (0.36) TRPA1APLNRALDH1A1CYP1A2CYP3A4
SCHEMBL6270080 0.72 — —
SCHEMBL13736340 0.72 APLNR (0.36) APLNRALDH1A1CYP1A2CYP3A4TDP1
SCHEMBL11629486 0.72 APLNR (0.36) APLNRALDH1A1CYP1A2CYP3A4TDP1
SCHEMBL13734813 0.72 GAA (0.38) APLNRALDH1A1CYP1A2CYP3A4TDP1
SCHEMBL15913692 0.72 APLNR (0.37) APLNRALDH1A1CYP1A2CYP3A4TDP1

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 TRPA1 1055/4885APLNR 441/4885ALDH1A1 587/4885

“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.