SCHEMBL2200600

SCHEMBL2200600

Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.39
HRH3 Q9Y5N1 4/20 0.38
SLC6A4 P31645 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 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
SCHEMBL2200597 1.00 KMT2A (0.46) KMT2AL3MBTL1KDM4EALDH1A1SCN5A
SCHEMBL2200314 0.93 KMT2A (0.44) KMT2AL3MBTL1MAPTMEN1
SCHEMBL2200316 0.93 KMT2A (0.44) KMT2AL3MBTL1MAPTMEN1
SCHEMBL2201497 0.92 KMT2A (0.43) KMT2AL3MBTL1MEN1HRH3LMNA
SCHEMBL2201503 0.92 KMT2A (0.43) KMT2AL3MBTL1MEN1HRH3LMNA
SCHEMBL2200653 0.89 EPHX2 (0.47) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2200656 0.89 EPHX2 (0.47) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2200439 0.87 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL2200442 0.87 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL12429457 0.87 KMT2A (0.40) KMT2AL3MBTL1ALDH1A1MAPTLMNA

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 KMT2A 4057/4885L3MBTL1 4149/4885KDM4E 3694/4885

“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.