SCHEMBL4391447

SCHEMBL4391447

CC(C)(N)CCN(Cc1ccc(C(=O)O)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.43
LPAR5 Q9H1C0 13/20 0.43
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 1/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MEP1B Q16820 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4394968 0.83 ALDH1A1 (0.46) ALDH1A1HDAC1HDAC6MEN1KMT2A
SCHEMBL3837475 0.82 HDAC1 (0.47) LPAR1LPAR5ALDH1A1ALDH2HDAC1
SCHEMBL4391449 0.75 MEP1B (0.40) LPAR1LPAR5ALDH1A1ALDH2HDAC1
SCHEMBL21456600 0.73 HDAC1 (0.41) ALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL11120189 0.71 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5830761 0.70 RARB (0.54) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11189806 0.70 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL7564084 0.67 SLC6A2 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL31040424 0.66 GRM4 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL1566408 0.64 ALDH1A1 (0.57) LPAR1LPAR5ALDH1A1ALDH2MEN1

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 LPAR1 2294/4885LPAR5 3642/4885ALDH1A1 1040/4885

“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.