SCHEMBL21446855

SCHEMBL21446855

COC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ ALOX12 P18054 1/20 0.77
▸ TSHR P16473 3/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ RAB9A P51151 6/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ MAPT P10636 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NR1H4 Q96RI1 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ELANE P08246 1/20 0.61

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
SCHEMBL4829005 0.89 KDM4E (0.63) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL6410492 0.88 TSHR (0.62) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL19554242 0.88 KDM4E (0.61) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL7949189 0.87 KDM4E (0.61) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL7230026 0.87 SIRT2 (0.72) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL6242064 0.85 TSHR (0.80) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL6401893 0.84 KDM4E (0.57) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL8044197 0.84 DHODH (0.79) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL19554308 0.82 KDM4E (0.56) KDM4EALDH1A1ALOX12TSHRHSD17B10
SCHEMBL16211079 0.82 NPC1 (0.64) KDM4ERAB9ANPC1GAANR1H4

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 KDM4E 2681/4885ALDH1A1 1458/4885ALOX12 2015/4885

“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.

Send feedback