SCHEMBL9526447

SCHEMBL9526447

COc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 2/20 1.00
GLA P06280 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
PGR P06401 1/20 0.54
AR P10275 1/20 0.54
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MDM2 Q00987 1/20 0.48
GSK3B P49841 1/20 0.47
LMNA P02545 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL9701832 0.87 KDM4E (0.77) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9526090 0.85 KDM4E (0.74) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9700707 0.83 KDM4E (0.71) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL7260450 0.82 KDM4E (0.70) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9701544 0.82 KDM4E (0.70) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9526262 0.81 ALDH1A1 (0.67) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9525492 0.80 KDM4E (0.66) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9701871 0.80 KDM4E (0.66) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9700724 0.80 KDM4E (0.66) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9701530 0.79 KDM4E (0.65) GAAALDH1A1KDM4EGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890697-B1 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA LLC (US) 2015-03-04 EP disclosed
US-8350043-B2 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA, INC. (US) 2013-01-08 US disclosed
US-8350043-B2 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA, INC. (US) 2013-01-08 US disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 US disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 US disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 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-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders HTR3C, HTR3A, AZI2 GAA 2862/4885ALDH1A1 200/4885KDM4E 561/4885

“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.