SCHEMBL4128370

SCHEMBL4128370

COc1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MCHR1 Q99705 1/20 0.55
ACHE P22303 3/20 0.54
SLC18A3 Q16572 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
FAAH O00519 1/20 0.53
POLB P06746 1/20 0.52
MAOB P27338 2/20 0.52

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
SCHEMBL4130121 0.89 RECQL (0.53) MEN1KMT2AKDM4EALDH1A1
SCHEMBL10637442 0.89 MEN1 (0.57) SIGMAR1MEN1KMT2AMCHR1ACHE
SCHEMBL30516673 0.82 SLC18A3 (0.74) SIGMAR1MEN1KMT2AMCHR1ACHE
SCHEMBL4841620 0.81 CPS1 (0.52) KDM4EALDH1A1MAPTPOLB
SCHEMBL4839335 0.79 KDM2B (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10965600 0.75 POLB (0.67) MEN1KMT2AACHEPOLB
SCHEMBL4131191 0.75 ALDH1A1 (0.53) KDM4EALDH1A1MAPTPOLB
SCHEMBL6990156 0.75 S1PR5 (0.67) SIGMAR1MEN1KMT2ASLC18A3KDM4E
SCHEMBL27911661 0.74 SIGMAR1 (0.58) SIGMAR1ACHESLC18A3
SCHEMBL7423445 0.73 KDM2B (0.50) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR SIGMAR1 334/4885MEN1 2129/4885KMT2A 1253/4885

“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.