SCHEMBL21446740

SCHEMBL21446740

COC(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
F10 P00742 1/20 0.55
PIN1 Q13526 3/20 0.54
PTPN1 P18031 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TMIGD3 P0DMS9 2/20 0.53

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
SCHEMBL21446870 0.87 RAB9A (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21446862 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21446743 0.84 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1853197 0.83 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23258274 0.81 POLB (0.62) HDAC1MEN1NPC1RAB9AKMT2A
SCHEMBL7712103 0.81 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24272396 0.81 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL700108 0.80 BCL2L1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29445494 0.80 BCL2L1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7078947 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-20210284622-A1 BIOACTIVE POLYMERS WITH ANTI=FOULING PROPERTIES FOR MEDICAL AND DENTAL USES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-16 US disclosed
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 (2 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 HDAC1 236/4885HDAC3 312/4885HDAC4 571/4885
US-20210284622-A1 BIOACTIVE POLYMERS WITH ANTI=FOULING PROPERTIES FOR MEDICAL AND DENTAL USES FGB, FIBP, DDOST HDAC1 1466/4885HDAC3 2070/4885HDAC4 1679/4885

“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.