SCHEMBL4470283

SCHEMBL4470283

CCCC(C)NC(=O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CTSK P43235 3/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NAMPT P43490 1/20 0.37
METAP1 P53582 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
SCHEMBL6384460 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3786249 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAHPGDPOLB
SCHEMBL3791523 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHPGDPOLB
SCHEMBL6076256 0.78 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6384256 0.77 CNR2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5224142 0.77 POLB (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2733475 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAHPGDPOLB
SCHEMBL6388180 0.74 MLYCD (0.44) SMN1; SMN2LMNATAS1R3TAS1R1MEN1
SCHEMBL6763518 0.73 MLYCD (0.43) SMN1; SMN2LMNAMEN1HTTKMT2A
SCHEMBL2880191 0.72 LMNA (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 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 (2 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 NPC1 1142/4885RAB9A 2631/4885SMN1; SMN2 4107/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 NPC1 1085/4885RAB9A 2081/4885SMN1; SMN2 4060/4885

“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.