SCHEMBL2037433

SCHEMBL2037433

COC(=O)COc1ccc(C(N)C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL4670134 0.86 RXFP1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL27893576 0.82 NPC1 (0.37) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL27876884 0.80 APP (0.33) NPC1RAB9AGAAALDH1A1LMNA
SCHEMBL2037435 0.73 CYP1A2 (0.43) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL14469368 0.73 ALDH1A1 (0.50) RAB9AGAAALDH1A1LMNAHPGD
SCHEMBL27572794 0.72 CYP4F2 (0.46) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL7448758 0.72 KMT2A (0.39) NPC1RAB9AALDH1A1MAPK1LMNA
SCHEMBL1948781 0.71 SMN1; SMN2 (0.58) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5516353 0.71 LMNA (0.49) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5525495 0.71 SMN1; SMN2 (0.45) NPC1RAB9AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NPC1 2000/4885RAB9A 1221/4885GAA 277/4885

“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.