SCHEMBL2607440

SCHEMBL2607440

CC(C)n1c(-c2ccccn2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ HSD17B10 Q99714 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALPG P10696 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ HTT P42858 1/20 0.49
▸ CTSD P07339 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GLA P06280 1/20 0.46

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
Hydrochloric Acid SCHEMBL7175681 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL7181328 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL7178883 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL7178595 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL7175643 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL7178356 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL7180606 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL12464592 0.84 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL14211467 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL172248 0.79 CYP19A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10LMNA

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 6 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
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 — — 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 (3 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 ALDH1A1 45/4885KDM4E 1620/4885HPGD 35/4885
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists HRH4, HRH3, HRH2 ALDH1A1 3459/4885KDM4E 2254/4885HPGD 1420/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 ALDH1A1 45/4885KDM4E 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.

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