SCHEMBL350086

SCHEMBL350086

O=CNCC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
CYP3A4 P08684 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HPGD P15428 4/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
MAPT P10636 5/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPK1 P28482 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
CYP2D6 P10635 2/20 0.53
GAA P10253 1/20 0.53
PTPN1 P18031 2/20 0.50
LMNA P02545 2/20 0.50
ERCC5 P28715 1/20 0.50

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
SCHEMBL5932634 0.82 HPGD (0.68) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL6505370 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL8611106 0.81 KMT2A (0.50) ALDH1A1CYP3A4MEN1KMT2AHPGD
Bromide SCHEMBL10777716 0.80 HPGD (0.65) ALDH1A1CYP3A4MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9432569 0.80 HPGD (0.65) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL23014514 0.80 GSK3B (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3846983 0.80 MAPT (0.58) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL9980337 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL6005005 0.80 TDP1 (0.54) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL26114568 0.80 KMT2A (0.53) ALDH1A1CYP3A4MEN1KMT2AHPGD

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed
US-11814385-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation UNIVERSITY OF SOUTH FLORIDA (US) 2023-11-14 US disclosed
US-11814385-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation UNIVERSITY OF SOUTH FLORIDA (US) 2023-11-14 US disclosed
US-20230002381-A1 SMALL MOLECULE INHIBITORS TARGETING CLOSTRIDIOIDES DIFFICILE SPORULATION NATIONAL INSTITUTES OF HEALTH 2023-01-05 US disclosed
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP disclosed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO disclosed
WO-2020219963-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-10-29 WO disclosed
US-6448028-B1 METHODS TO IDENTIFY AND REDUCE BOAR TAINT, DUE TO HIGH LEVELS OF EITHER THE 16-ANDROSTENE STEROIDS OR SKATOLE IN FAT, BY MEASURING LEVELS OF METABOLITES UNIVERSITY OF GUELPH (CA) 2002-09-10 US disclosed
EP-1218534-A2 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM University of Guelph (CA) 2002-07-03 EP disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
WO-2002036116-A2 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-10 WO disclosed
WO-2001023601-A2 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM UNIVERSITY OF GUELPH (CA) 2001-04-05 WO disclosed
WO-2000073288-A1 METHOD FOR PREPARING 5-SUBSTITUTED OXAZOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-07 WO disclosed
EP-0114758-B1 +/- 2-((3,4-METHYLENEDIOXY)PHENETHYL)-5-((3-CARBOXAMIDO-4-HYDROXY)-ALPHA-HYDROXYBENZYL)PYRROLIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-11-12 EP 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 (5 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885CYP3A4 1461/4885MEN1 2686/4885
US-20230002381-A1 SMALL MOLECULE INHIBITORS TARGETING CLOSTRIDIOIDES DIFFICILE SPORULATION SPOUT1, CLPP, RPN2 ALDH1A1 2083/4885CYP3A4 2042/4885MEN1 4676/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885CYP3A4 1461/4885MEN1 2686/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 ALDH1A1 76/4885CYP3A4 4552/4885MEN1 3526/4885
US-11814385-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation SPOUT1, CLPP, RPN2 ALDH1A1 2083/4885CYP3A4 2042/4885MEN1 4676/4885

“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.