SCHEMBL2323285

SCHEMBL2323285

CC(C)Cc1ccc(C(N)=NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
ALOX5 P09917 2/20 0.44
LMNA P02545 4/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 1/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
RARB P10826 1/20 0.42

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
SCHEMBL2323281 1.00 EPHX1 (0.49) EPHX1GAARAB9AALOX5LMNA
SCHEMBL13268623 0.78 PPARG (0.48) EPHX1ALOX5LMNAFAAHPTGS1
SCHEMBL16489291 0.78 SMN1; SMN2 (0.57) GAARAB9ALMNANPC1TP53
SCHEMBL17735999 0.78 SMN1; SMN2 (0.57) GAARAB9ALMNANPC1TP53
SCHEMBL3128405 0.77 FAAH (0.42) EPHX1ALOX5LMNAFAAHPTGS1
SCHEMBL3128398 0.77 FAAH (0.42) EPHX1ALOX5LMNAFAAHPTGS1
SCHEMBL19463613 0.77 RAB9A (0.42) GAARAB9ALMNANPC1TP53
SCHEMBL2323646 0.77 HDAC1 (0.53) GAARAB9ALMNANPC1TP53
SCHEMBL2323642 0.77 HDAC1 (0.53) GAARAB9ALMNANPC1TP53
SCHEMBL19463614 0.77 RAB9A (0.42) GAARAB9ALMNANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003266-A Hydroxyalkylbenzylpyrazoles and their use for the treatment of hyperproliferative and angiogenic diseases BAYER IP GMBH 2013-03-27 CN disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 US disclosed
EP-2021338-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Products Inc. (US) 2009-02-11 EP disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 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 (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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 EPHX1 1209/4885GAA 3451/4885RAB9A 790/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 EPHX1 1209/4885GAA 3451/4885RAB9A 790/4885

“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.