SCHEMBL4399758

SCHEMBL4399758

CN1CCN(CCCC(NC(=O)Nc2ccc(F)c(F)c2)c2ccc(C(=O)Nc3ccccc3N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KDM1A O60341 1/20 0.44
HDAC1 Q13547 13/20 0.44
HDAC3 O15379 5/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
BRD4 O60885 1/20 0.43
JAK1 P23458 1/20 0.43
EGFR P00533 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2474556 0.95 LMNA (0.47) LMNAMAPTKDM1AHDAC1HDAC3
SCHEMBL2473979 0.86 HDAC1 (0.47) LMNAMAPTHDAC1HDAC3HDAC2
SCHEMBL2473928 0.86 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2474349 0.84 EGFR (0.49) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2475221 0.84 CHRM3 (0.44) LMNAMAPTKDM1AHDAC1HDAC3
SCHEMBL2476829 0.84 UTS2R (0.49) LMNAMAPTHDAC1HDAC3HDAC2
SCHEMBL4391410 0.83 HDAC1 (0.53) MAPTKDM1AHDAC1HDAC3HDAC2
SCHEMBL2474442 0.83 HDAC1 (0.60) LMNAHDAC1HDAC3HDAC2HDAC8
SCHEMBL4391455 0.81 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2476882 0.81 HDAC3 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC4

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-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 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-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE UACA, SLC14A1, ARG2 LMNA 877/4885MAPT 1576/4885KDM1A 1117/4885

“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.