SCHEMBL7121445

SCHEMBL7121445

CCc1cc(C#N)ccc1NC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.48
▸ ABCC8 Q09428 1/20 0.48
▸ KCNJ11 Q14654 1/20 0.48
▸ KCNJ8 Q15842 1/20 0.48
▸ CYP2A6 P11509 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.37
▸ SETDB1 Q15047 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ PGR P06401 1/20 0.34

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
SCHEMBL19980262 0.86 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL2694494 0.81 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL12852102 0.81 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL1069305 0.77 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL20726018 0.77 CYP1A2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM5A
SCHEMBL13824727 0.75 CYP2A6 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL1859259 0.75 CYP2A6 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL31106963 0.75 MAP2K1 (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL29952696 0.75 CYP2A6 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL19155116 0.75 MAP2K1 (0.43) KDM4EALDH1A1GAAMEN1KMT2A

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 ABCC9 817/4885ABCC8 848/4885KCNJ11 3728/4885

“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.

Send feedback