SCHEMBL2607718

SCHEMBL2607718

CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.84
▸ KDM4E B2RXH2 3/20 0.84
▸ ALDH1A1 P00352 3/20 0.84
▸ HPGD P15428 2/20 0.84
▸ HSD17B10 Q99714 2/20 0.84
▸ USP2 O75604 1/20 0.84
▸ TSHR P16473 1/20 0.84
▸ MAPK1 P28482 1/20 0.84
▸ NPSR1 Q6W5P4 1/20 0.84
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ TP53 P04637 3/20 0.64
▸ POLB P06746 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 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
SCHEMBL13182115 0.91 MAPT (1.00) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2242824 0.82 CASP3 (0.71) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2607551 0.82 NPC1 (0.75) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL16939827 0.80 MAPT (0.66) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2240507 0.79 MAPT (0.87) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2243210 0.78 MAPT (0.69) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2245095 0.77 MAPT (0.87) MAPTKDM4EALDH1A1USP2TSHR
SCHEMBL2243174 0.76 NPC1 (1.00) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2248135 0.75 MAPT (0.90) MAPTTSHRSMN1; SMN2TP53POLB
SCHEMBL2242896 0.75 MAPT (0.73) MAPTKDM4EALDH1A1HPGDHSD17B10

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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 — — US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 — — US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 — — 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 (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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885KDM4E 1620/4885ALDH1A1 45/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885KDM4E 1620/4885ALDH1A1 45/4885

“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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