SCHEMBL2197758

SCHEMBL2197758

Cc1ccc(C(=O)NCc2ccccn2)cc1C(=O)c1ccc(N)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
RAB9A P51151 5/20 0.58
HPGD P15428 3/20 0.58
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
PRNP P04156 1/20 0.53
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 3/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL30171601 0.83 HPGD (0.77) KDM4ERAB9AHPGDCYP1A2CYP3A4
SCHEMBL2197728 0.83 GAA (0.55) CYP3A4ALDH1A1KMT2AMEN1LMNA
SCHEMBL2199852 0.82 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL27737857 0.81 HPGD (0.62) KDM4ERAB9AHPGDCYP1A2ALDH1A1
SCHEMBL29451525 0.81 NPC1 (0.60) KDM4ERAB9AHPGDCYP1A2ALDH1A1
SCHEMBL2198973 0.81 MAPK13 (0.61) KDM4ERAB9AHPGDCYP1A2CYP3A4
SCHEMBL2196637 0.79 HPGD (0.51) KDM4EHPGDCYP1A2CYP3A4KMT2A
SCHEMBL2195108 0.77 HPGD (0.55) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL13947279 0.77 KDM4E (0.79) KDM4ERAB9AHPGDCYP1A2CYP3A4
SCHEMBL10324599 0.77 KDM4E (0.67) KDM4ERAB9AHPGDCYP1A2CYP3A4

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-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 KDM4E 1532/4885RAB9A 1123/4885HPGD 1490/4885

“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.