SCHEMBL12615992

SCHEMBL12615992

c1ccc(-n2cnnn2)c(-n2cnnn2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ NOTUM Q6P988 4/20 0.64
▸ KMT2A Q03164 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ F2 P00734 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ KCNJ1 P48048 1/20 0.45
▸ HSD17B10 Q99714 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
SCHEMBL20237265 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL28955008 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL5549180 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL14242848 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL5330184 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL30084182 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL8540440 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL8109135 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL436604 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL7768909 0.85 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — US disclosed
WO-2012129452-A2 PROPYNOIC ACID CARBAMOYL METHYL-ALMIDES AND PHARMACEUTICAL COMPOSITIONS AND METHODS BASED THEREON UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-09-27 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 ALDH1A1 1558/4885NPSR1 3244/4885NOTUM 1022/4885

“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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