SCHEMBL23258487

SCHEMBL23258487

COC(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.70
▸ NPC1 O15118 6/20 0.70
▸ MAOB P27338 3/20 0.60
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ F12 P00748 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ PRMT5 O14744 1/20 0.48

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
SCHEMBL23258482 0.88 NPC1 (0.61) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL655464 0.81 CA12 (0.56) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL23258715 0.81 MEN1 (0.57) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL23258475 0.80 MEN1 (0.69) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL5867051 0.79 F12 (0.72) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL23258710 0.77 SMN1; SMN2 (0.60) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL27631823 0.77 MAOB (0.55) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL6709802 0.77 TSHR (0.67) NPC1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2102040 0.76 NPC1 (0.56) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL6239637 0.76 POLB (0.58) RAB9ANPC1MAOBMEN1KMT2A

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 RAB9A 1534/4885NPC1 649/4885MAOB 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.

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