SCHEMBL23258481

SCHEMBL23258481

NC(=O)c1ccccc1C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.66
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
TMPRSS4 Q9NRS4 1/20 0.62
ALDH1A1 P00352 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
FLT1 P17948 1/20 0.61
KDM4E B2RXH2 2/20 0.60
MITF O75030 1/20 0.60
XBP1 P17861 1/20 0.60
PAX8 Q06710 1/20 0.60
KLF5 Q13887 1/20 0.60
TRPV1 Q8NER1 1/20 0.57
POLB P06746 1/20 0.54

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
SCHEMBL845883 0.86 KDR (0.66) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2077491 0.84 TMPRSS4 (0.74) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19616457 0.82 KDR (0.64) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3994400 0.82 NPSR1 (0.71) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4246328 0.80 KDR (0.55) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL995474 0.80 KDR (1.00) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14917446 0.79 NPC1 (0.67) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27866684 0.79 NPC1 (0.80) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5578096 0.78 NPC1 (0.81) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL846608 0.78 KDR (0.65) KDRNPC1RAB9ASMN1; SMN2MAPT

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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA KDR 4832/4885NPC1 649/4885RAB9A 1534/4885

“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.