SCHEMBL21446744

SCHEMBL21446744

COC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.65
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
KDR P35968 1/20 0.59
FAAH O00519 1/20 0.58
NPC1 O15118 6/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
Trifluoroacetic Acid SCHEMBL30643059 0.92 RAB9A (0.59) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21446739 0.88 NPC1 (0.60) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30643077 0.86 KDR (0.67) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21446741 0.85 KDR (0.61) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL327090 0.83 KDR (0.73) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30958690 0.83 KDR (0.73) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29505143 0.83 ALOX15 (0.65) RAB9AKDRFAAHNPC1ALDH1A1
SCHEMBL2031896 0.83 ALOX15 (0.65) RAB9AKDRFAAHNPC1ALDH1A1
SCHEMBL6791314 0.81 KDR (0.59) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL19616647 0.81 NPC1 (0.76) RAB9AKDRNPC1ALDH1A1KDM4E

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-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
WO-2019195430-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UAB RESEARCH FOUNDATION (US) 2019-10-10 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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA RAB9A 1534/4885HDAC3 312/4885HDAC4 571/4885

“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.