SCHEMBL20181880

SCHEMBL20181880

O=C(c1c[nH]c2ccccc12)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
KDM4E B2RXH2 1/20 0.75
LMNA P02545 1/20 0.75
KMT2A Q03164 1/20 0.71
GFER P55789 1/20 0.71
HTT P42858 1/20 0.62
MAPK14 Q16539 1/20 0.62
AVPR1A P37288 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 1/20 0.56
POLB P06746 1/20 0.55
GPR84 Q9NQS5 1/20 0.54
RAB9A P51151 1/20 0.54
USP2 O75604 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 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
SCHEMBL1558423 0.86 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAKMT2ACYP1A2
SCHEMBL289605 0.85 POLB (0.74) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL28481273 0.84 GFER (0.68) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL1144650 0.84 GFER (0.68) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL17179301 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL8445235 0.83 GFER (1.00) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL8708978 0.82 GFER (0.67) ALDH1A1KDM4ELMNAGFERHTT
SCHEMBL8707863 0.82 GFER (0.67) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL9410743 0.82 GFER (0.71) ALDH1A1KDM4ELMNAKMT2AGFER
SCHEMBL948677 0.82 GFER (0.71) ALDH1A1KDM4ELMNAGFERHTT

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
EP-3541817-B1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 ALDH1A1 2387/4885KDM4E 3361/4885LMNA 3294/4885

“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.