SCHEMBL2323646

SCHEMBL2323646

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 2/20 0.39
F2 P00734 6/20 0.38
F10 P00742 2/20 0.38
KMT2A Q03164 2/20 0.37
GFER P55789 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2323642 1.00 HDAC1 (0.53) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL13362364 0.79 HDAC8 (0.56) HDAC1HDAC8HDAC6F10KMT2A
SCHEMBL20597970 0.77 CHEK1 (0.41) RAB9AGAALMNANPC1TP53
SCHEMBL20597969 0.77 CHEK1 (0.41) RAB9AGAALMNANPC1TP53
SCHEMBL26267232 0.77 HDAC1 (0.59) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL2323281 0.77 EPHX1 (0.49) RAB9AGAALMNANPC1TP53
SCHEMBL2323285 0.77 EPHX1 (0.49) RAB9AGAALMNANPC1TP53
SCHEMBL20505225 0.76 HPGD (0.43) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL22229834 0.76 RAB9A (0.40) HDAC1HDAC8HDAC6RAB9AGAA
SCHEMBL22229833 0.76 RAB9A (0.40) HDAC1HDAC8HDAC6RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
EP-2356114-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (1 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-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A HDAC1 808/4885HDAC8 1002/4885HDAC6 1835/4885

“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.