SCHEMBL8258908

SCHEMBL8258908

C=CCNC(=N)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
HPGD P15428 5/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
LMNA P02545 2/20 0.40
PARP1 P09874 1/20 0.40
S1PR3 Q99500 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31094962 0.81 RAB9A (0.71) RAB9AHPGDCYP1A2POLBCYP3A4
SCHEMBL7400924 0.79 HPGD (0.54) RAB9AHPGDCYP1A2POLBALDH1A1
Hydrochloric Acid SCHEMBL7397125 0.78 HPGD (0.53) RAB9AHPGDCYP1A2POLBALDH1A1
SCHEMBL21959263 0.77 RAB9A (0.44) RAB9AHPGDCYP1A2POLBCYP3A4
SCHEMBL641112 0.73 PARP1 (0.48) RAB9AALDH1A1ERCC5FEN1PARP1
SCHEMBL2952721 0.72 PARP1 (0.52) RAB9AALDH1A1ERCC5FEN1PARP1
Hydrochloric Acid SCHEMBL10921538 0.70 ALDH1A1 (0.46) RAB9AHPGDPOLBCYP2C19ALDH1A1
SCHEMBL11558102 0.69 PARP1 (0.44) RAB9APOLBCYP2C19ALDH1A1ERCC5
SCHEMBL9874864 0.69 NPC1 (0.57) RAB9AALDH1A1LMNA
SCHEMBL4645984 0.69 NPSR1 (0.46) RAB9AHPGDALDH1A1LMNANPSR1

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 6 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
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 RAB9A 2071/4885HPGD 445/4885CYP1A2 506/4885

“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.