SCHEMBL12948744

SCHEMBL12948744

CCSCC(C)(O)c1[nH]c2cc(C)c(C#N)cc2c1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.34
CSNK1G2 P78368 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CXCR2 P25025 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL978030 0.86 AR (0.38) MEN1KMT2A
SCHEMBL12922671 0.81 MEN1 (0.34) MEN1KMT2ANPC1RAB9A
SCHEMBL12922669 0.79 MEN1 (0.32) MEN1KMT2ANPC1RAB9A
SCHEMBL12948641 0.77 CSNK1D (0.37) CSNK1DCSNK1G2
SCHEMBL977469 0.73 MEN1 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL980223 0.68 MEN1 (0.39) MEN1KMT2A
SCHEMBL979616 0.64 AR (0.40)
SCHEMBL22210593 0.62 MAOA (0.39) CSNK1DCSNK1G2CXCR2
SCHEMBL20595037 0.61 MAOB (0.38) CSNK1DCSNK1G2CXCR2
SCHEMBL12330651 0.60 CHEK1 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678926-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-7427682-B2 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-23 US disclosed
US-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTER JAMES C 2008-03-20 US 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-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CSNK1D 381/4885CSNK1G2 324/4885MEN1 4075/4885

“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.