SCHEMBL4834600

SCHEMBL4834600

COc1ccc(-c2nnc(Cl)c3cc(Cl)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
KCNA5 P22460 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL4834009 0.91 DHODH (0.48) ALDH1A1HPGDCNR1CNR2GPR55
SCHEMBL4122604 0.91 PDE4A (0.47) ALDH1A1CNR1CNR2GPR55NPSR1
SCHEMBL4834418 0.87 CNR1 (0.45) ALDH1A1HPGDCNR1CNR2GPR55
SCHEMBL4834669 0.84 HTT (0.48) ALDH1A1HPGDCNR1CNR2GPR55
SCHEMBL1396133 0.83 NPSR1 (0.57) ALDH1A1NPSR1MEN1KMT2APKM
SCHEMBL31359827 0.83 NPSR1 (0.57) ALDH1A1NPSR1MEN1KMT2APKM
SCHEMBL4843388 0.82 PDE4A (0.55) ALDH1A1HPGDCNR1CNR2NPSR1
SCHEMBL4840317 0.82 PDE4A (0.46) ALDH1A1HPGDCNR1CNR2GPR55
SCHEMBL4840257 0.82 MAPK14 (0.46) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL4845442 0.82 PDE4A (0.57) ALDH1A1HPGDNPSR1MEN1KMT2A

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-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 ALDH1A1 86/4885HPGD 163/4885CNR1 1058/4885

“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.