SCHEMBL13182115

SCHEMBL13182115

CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ KDM4E B2RXH2 7/20 1.00
▸ HPGD P15428 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ HSD17B10 Q99714 5/20 1.00
▸ USP2 O75604 2/20 1.00
▸ TSHR P16473 2/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ TP53 P04637 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ PPARG P37231 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ NR2E3 Q9Y5X4 1/20 0.62
▸ NCOR2 Q9Y618 1/20 0.62
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 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
SCHEMBL2607718 0.91 MAPT (0.84) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL13182114 0.82 ALDH1A1 (0.69) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2242824 0.81 CASP3 (0.71) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL15597512 0.81 KDM4E (0.78) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2246106 0.77 MAPT (0.85) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL29479738 0.77 ALDH1A1 (0.64) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2243210 0.77 MAPT (0.69) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4082942 0.77 ALDH1A1 (0.79) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL17544229 0.75 MAPT (0.88) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL30402400 0.75 MAPT (0.88) MAPTKDM4EHPGDALDH1A1HSD17B10

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
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 — — 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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885KDM4E 1620/4885HPGD 35/4885

“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