SCHEMBL7115248

SCHEMBL7115248

CCc1cc([N+](=O)[O-])ccc1N=C=S

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 6/20 0.43
LMNA P02545 4/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.35

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
SCHEMBL7115155 0.90 ALDH1A1 (0.40) POLBHTTALDH1A1LMNAGABRA1
SCHEMBL206851 0.82 TSHR (0.42) POLBHTTALDH1A1LMNATSHR
SCHEMBL7121492 0.81 ALDH1A1 (0.55) POLBHTTALDH1A1LMNATSHR
SCHEMBL1923172 0.79 ALDH1A1 (0.37) POLBHTTALDH1A1LMNATDP1
SCHEMBL7607391 0.79 TDP1 (0.50) HTTALDH1A1LMNATSHRTDP1
SCHEMBL1922927 0.78 ALDH1A1 (0.32) HTTALDH1A1LMNATSHRTDP1
SCHEMBL11878490 0.78 PLAU (0.51) POLBHTTALDH1A1MAPTMEN1
SCHEMBL29471402 0.78 HSD17B10 (0.55) HTTALDH1A1LMNATDP1MAPT
SCHEMBL1457247 0.78 HSD17B10 (0.55) HTTALDH1A1LMNATDP1MAPT
SCHEMBL3368739 0.78 ALDH1A1 (0.55) HTTALDH1A1LMNATSHRTDP1

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 POLB 4005/4885HTT 3943/4885ALDH1A1 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.