SCHEMBL2610144

SCHEMBL2610144

O=C(Cn1ncc2c1-c1ccccc1CC2)Nc1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ TP53 P04637 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL2610146 0.85 MAPT (0.75) MAPTALDH1A1KDM4ETP53GAA
SCHEMBL13182165 0.68 MEN1 (0.52) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL13182160 0.68 TP53 (0.66) MAPTTP53KMT2A
SCHEMBL8901243 0.68 MAPT (0.72) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL29728198 0.68 MAPT (0.72) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL3193832 0.68 MAPT (0.45) MAPTALDH1A1TP53GAAPOLB
SCHEMBL521958 0.66 MAPT (1.00) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL11710601 0.66 MEN1 (0.74) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL11710607 0.66 MAPT (0.74) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL1913977 0.65 ALDH1A1 (0.73) MAPTALDH1A1KDM4EGAAPOLB

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 4 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
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 (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 4129/4885ALDH1A1 45/4885KDM4E 1620/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885ALDH1A1 45/4885KDM4E 1620/4885

“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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