SCHEMBL2200656

SCHEMBL2200656

Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
MCHR1 Q99705 1/20 0.45
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AR P10275 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
SCHEMBL2200653 1.00 EPHX2 (0.47) EPHX2MCHR1KMT2AKDM4EALDH1A1
SCHEMBL2200192 0.95 MCHR1 (0.42) EPHX2MCHR1KMT2AKDM4EALDH1A1
SCHEMBL12429475 0.95 MCHR1 (0.42) EPHX2MCHR1KMT2AKDM4EALDH1A1
SCHEMBL2200189 0.95 MCHR1 (0.42) EPHX2MCHR1KMT2AKDM4EALDH1A1
SCHEMBL2200184 0.95 MCHR1 (0.42) EPHX2MCHR1KMT2AKDM4EALDH1A1
SCHEMBL2200314 0.92 KMT2A (0.44) EPHX2KMT2AMEN1L3MBTL1L3MBTL3
SCHEMBL2200316 0.92 KMT2A (0.44) EPHX2KMT2AMEN1L3MBTL1L3MBTL3
SCHEMBL2201497 0.92 KMT2A (0.43) KMT2ALMNAMEN1L3MBTL1L3MBTL3
SCHEMBL2201503 0.92 KMT2A (0.43) KMT2ALMNAMEN1L3MBTL1L3MBTL3
SCHEMBL2200600 0.89 KMT2A (0.46) KMT2AKDM4EALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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 (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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 EPHX2 1452/4885MCHR1 606/4885KMT2A 4057/4885

“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.