SCHEMBL17995191

SCHEMBL17995191

Cc1ccc(-c2nc(C(C)C)[nH]c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
KDM5A P29375 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30469483 0.81 KDM4E (0.72) KDM4EL3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL28182135 0.79 KDM4E (0.47) KDM4EL3MBTL1KDM5AALDH1A1ADORA3
SCHEMBL18717442 0.79 F11 (0.47) KDM4EMAPK1FASN
SCHEMBL15113447 0.75 KDM4E (0.36) KDM4ECYP2C9
SCHEMBL21773988 0.71 ERBB2 (0.46) KDM4EL3MBTL1KDM5AALDH1A1ADORA2A
SCHEMBL13847513 0.68 KDM4E (0.69) KDM4EL3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL12960720 0.67 KDM4E (0.57) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL2756747 0.67 CYP1A2 (0.58) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL10861808 0.66 KDM4E (0.34) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11965492 0.66 NISCH (0.40) KDM4EL3MBTL1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229839-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-11 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-20160229839-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI KDM4E 454/4885L3MBTL1 4356/4885KDM5A 440/4885

“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.