SCHEMBL6740501

SCHEMBL6740501

COc1ccc(N(C(=O)OC(C)(C)C)c2ccc(NC(=O)OCCBr)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
ESR2 Q92731 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6743562 0.83 TP53 (0.50) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6740788 0.80 ALDH1A1 (0.61) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6352552 0.79 RAB9A (0.64) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6743558 0.78 NAMPT (0.51) LMNAMAPTALDH1A1KDM4EKMT2A
SCHEMBL7929176 0.75 RAB9A (0.50) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1342005 0.73 SMN1; SMN2 (0.61) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6349839 0.72 MAPT (0.47) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6353244 0.72 CA1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13827423 0.72 CYP17A1 (0.48) TP53LMNAALDH1A1KMT2AMEN1
SCHEMBL21059104 0.71 SMN1; SMN2 (0.65) TP53LMNANPC1RAB9ASMN1; SMN2

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-20040063783-A1 Nitroso diphenylamine derivatives MERCK PATENT GMBH (DE) 2004-04-01 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-20040063783-A1 Nitroso diphenylamine derivatives NQO2, SULT1A1, NAT1 TP53 1326/4885LMNA 1575/4885NPC1 2096/4885

“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.