SCHEMBL8253863

SCHEMBL8253863

C=CCc1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPK14 Q16539 6/20 0.47
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ DHPS P49366 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ VEGFA P15692 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL8253681 0.86 MAPT (0.50) ALDH1A1KDM4EMAPK14LMNAMEN1
SCHEMBL8254525 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4EPOLBMAPK14HTT
SCHEMBL15106903 0.67 CYP2A6 (0.50) ALDH1A1MAPK14LMNA
SCHEMBL170430 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5403133 0.66 GABRA1 (0.40) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL19166888 0.66 MAPT (0.46) ALDH1A1KDM4EPOLBHTTLMNA
SCHEMBL27573453 0.66 CYP2A6 (0.39) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL5907211 0.66 MAPK14 (0.53) ALDH1A1KDM4EPOLBMAPK14HTT
SCHEMBL15106928 0.65 GABRA1 (0.39) ALDH1A1KDM4EHTTLMNAMEN1
SCHEMBL2362467 0.65 GABRA1 (0.52) ALDH1A1KDM4EHTTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2006133242-A2 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA, INC. (US) 2006-12-14 — — 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 ALDH1A1 200/4885KDM4E 561/4885POLB 4249/4885

“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.

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