SCHEMBL4843787

SCHEMBL4843787

COc1ccc(-c2nnc(Cl)c3cc(OC)ccc23)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2A7 P20853 1/20 0.44
CYP3A7 P24462 1/20 0.44
CYP2F1 P24903 1/20 0.44
CYP2C18 P33260 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4F8 P98187 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
SCHEMBL4841655 0.89 SMN1; SMN2 (0.47) ALDH1A1LMNAGAAMAPK1KDM4E
SCHEMBL4842099 0.88 KDM4E (0.45) ALDH1A1LMNACA12CA1CA2
SCHEMBL28934436 0.82 ACHE (0.41) CYP3A4CYP1A2CYP2C9CYP2C19CRHR1
SCHEMBL26690613 0.81 KDM4E (0.45) CYP3A4CYP1A2CYP2C19CYP17A1CYP11B1
SCHEMBL4122604 0.80 PDE4A (0.47) ALDH1A1LMNAHTTKDM4E
SCHEMBL4841379 0.80 CA1 (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL28934496 0.79 PDE5A (0.46) CYP2C9CYP2C19CRHR1ALDH1A1MAPK1
SCHEMBL4842181 0.79 PDE4A (0.43) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL4834009 0.78 DHODH (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4845442 0.78 PDE4A (0.57) ALDH1A1LMNAHTTKDM4EHPGD

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 CYP3A4 562/4885CYP1A1 357/4885CYP1B1 236/4885

“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.