SCHEMBL9911549

SCHEMBL9911549

CC(C)C(=O)Cn1cnnn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HMOX1 P09601 1/20 0.44
ALPG P10696 1/20 0.43
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
HBB P68871 1/20 0.37
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
STAT5B P51692 1/20 0.35

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
SCHEMBL6363799 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10MEN1KMT2AHMOX1
Hydrochloric Acid SCHEMBL4870750 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL412430 0.76 HMOX1 (0.54) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL3762300 0.74
Water SCHEMBL11813782 0.74 HMOX1 (0.51) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL11855291 0.74 HMOX1 (0.51) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL9972655 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL11120387 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL15682636 0.73 FOLH1 (0.41)
SCHEMBL4685596 0.73

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALDH1A1 1098/4885HSD17B10 2447/4885MEN1 2633/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALDH1A1 1098/4885HSD17B10 2447/4885MEN1 2633/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ALDH1A1 408/4885HSD17B10 52/4885MEN1 3985/4885

“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.