SCHEMBL4130121

SCHEMBL4130121

CCOc1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CCR8 P51685 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL4128370 0.89 SIGMAR1 (0.57) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10637442 0.78 MEN1 (0.57) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10965600 0.74 POLB (0.67) KMT2AMEN1ABL1RIN1TSHR
SCHEMBL30516673 0.73 SLC18A3 (0.74) KMT2ALMNASMN1; SMN2MEN1TSHR
SCHEMBL930228 0.72 ALDH1A1 (0.59) PKMKMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL608528 0.72 ALDH1A1 (0.76) PKMKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27911661 0.72 SIGMAR1 (0.58)
SCHEMBL6344464 0.71 HTR2A (0.73) KMT2AMEN1ABL1RIN1TSHR
SCHEMBL10164227 0.71 KMT2A (0.59) KMT2AKDM4EMEN1L3MBTL1ABL1
Hydrochloric Acid SCHEMBL7438287 0.71 ALDH1A1 (0.74) PKMKMT2AKDM4ESMN1; SMN2ALDH1A1

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 1 patent. 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

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 RECQL 1282/4885PKM 1728/4885MAPK1 3461/4885

“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.