SCHEMBL940377

SCHEMBL940377

C=CCn1c(=O)c2cc(CCCO)ccc2n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PLA2G4A P47712 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PLA2G2A P14555 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ RORA P35398 1/20 0.34

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
SCHEMBL12913011 0.80 MAPT (0.57) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL14136651 0.76 DHFR (0.50) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL940695 0.74 CYP4A11 (0.41) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL14136847 0.72 DHFR (0.53) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL14136891 0.71 DHFR (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL15580868 0.70 DHFR (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL12946210 0.70 CNR2 (0.50) KDM4EMAPTLMNAALDH1A1POLB
SCHEMBL17875310 0.68 DHFR (0.40) MEN1KMT2AKDM4EMAPTLMNA
Hydrocinnamyl Alcohol SCHEMBL27745584 0.63 HDAC1 (0.52) MAPTLMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL11042325 0.62 XDH (0.44) MEN1KMT2AKDM4EMAPTLMNA

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
EP-1776345-B1 Method of preparing N2-functionalised indazolinone derivatives UNIV ST ANDREWS (GB) 2013-02-13 — — EP disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — 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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 MEN1 145/4885KMT2A 1621/4885KDM4E 1737/4885

“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.

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