SCHEMBL23722873

SCHEMBL23722873

NCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
NQO2 P16083 1/20 0.65
TACR3 P29371 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
KDM4E B2RXH2 7/20 0.59
LMNA P02545 4/20 0.59
TP53 P04637 2/20 0.57
ALDH1A1 P00352 4/20 0.57
MOK Q9UQ07 2/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL23722901 0.92 TACR3 (0.72) NQO2TACR3MEN1KMT2ACACNA1B
SCHEMBL23722913 0.87 GAA (0.67) GAATACR3MEN1KMT2ACACNA1B
SCHEMBL23722878 0.85 MOK (0.76) GAATACR3MEN1KMT2ACACNA1B
SCHEMBL23722840 0.84 TACR3 (0.69) NQO2TACR3MEN1KMT2ACACNA1B
SCHEMBL2631309 0.81 CA12 (0.71) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL23722823 0.80 GAA (0.58) GAATACR3MEN1KMT2AKDM4E
SCHEMBL23746703 0.80 CACNA1B (0.62) GAANQO2TACR3MEN1KMT2A
SCHEMBL8614006 0.80 KDM4E (0.60) GAATACR3MEN1KMT2AKDM4E
SCHEMBL1898539 0.80 DHODH (0.80) MEN1KMT2AKDM4ELMNANPC1
SCHEMBL29788460 0.80 DHODH (0.80) MEN1KMT2AKDM4ELMNANPC1

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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT GAA 2265/4885NQO2 675/4885TACR3 447/4885

“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.