SCHEMBL7119247

SCHEMBL7119247

COC(=O)c1ccc(N=C=S)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL3320428 0.88 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL1093410 0.86 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL29874662 0.83 SMN1; SMN2 (0.44) TDP1MAPTGAALMNAALDH1A1
SCHEMBL483530 0.83 SMN1; SMN2 (0.44) TDP1MAPTGAALMNAALDH1A1
SCHEMBL1968518 0.83 ALDH1A1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL3398382 0.82 TSHR (0.44) CA1CA2CA12CA7CA9
SCHEMBL2900923 0.81 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL3670437 0.81 PARP1 (0.41) CA1CA2LMNAALDH1A1KDM4E
SCHEMBL9712538 0.81 ALDH1A1 (0.35) TDP1MAPTLMNAALDH1A1KMT2A
SCHEMBL2901274 0.80 CYP3A4 (0.41) CA1CA2CA12CA7CA9

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 4 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

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 CA1 4399/4885CA2 3091/4885CA12 3894/4885

“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.