SCHEMBL10074951

SCHEMBL10074951

Cc1cc(N2C(=O)C(=O)N3N=C(C=O)CC3(C)C2=O)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.43
AR P10275 6/20 0.39
CYP11B1 P15538 1/20 0.39
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 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
SCHEMBL10075680 0.91 CYP11B2 (0.43) CYP11B2ARCYP11B1ACACBACACA
SCHEMBL10075681 0.82 AR (0.43) CYP11B2ARCYP11B1
SCHEMBL18994017 0.73 AR (0.43) CYP11B2AR
SCHEMBL333430 0.72 AR (0.55) AR
SCHEMBL333429 0.72 AR (0.55) AR
SCHEMBL10075362 0.72 CYP11B2 (0.43) CYP11B2ARCYP11B1
SCHEMBL13480349 0.70 CYP11B2 (0.32) CYP11B2
SCHEMBL10075682 0.68 AR (0.41) CYP11B2ARCYP11B1
SCHEMBL10075912 0.68 AR (0.44) CYP11B2AR
SCHEMBL332212 0.68 AR (0.49) AR

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-8097730-B2 Bicyclic heterocycles useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-17 US disclosed
US-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ZHANG XUQING 2010-06-24 US disclosed
US-7626036-B2 4-(3a-Methyl-1,3-dioxo-5-trifluoromethyl-3a,4-dihydro-3H-1l4-thia-2,6,6a-triaza-pentalen-2-yl)-2-trifluoromethyl-benzonitrile; anticarcinogenic agents; prostate glands; benign prostatic hyperplasia; alopecia; eating disorders; mammary glands; acne; AIDS; cachexia; male contraceptives; sexual disorders JANSSEN PHARMACEUTICA NV (BE) 2009-12-01 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-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR CYP11B2 18/4885AR 1/4885CYP11B1 16/4885

“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.