SCHEMBL6380434

SCHEMBL6380434

CNC(=O)[C@@H](N)CNC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 2/20 0.50
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EPHX2 P34913 1/20 0.45
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NAAA Q02083 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
ITGAV P06756 2/20 0.43

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
Hydrochloric Acid SCHEMBL6382899 0.98 NPC1 (0.51) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL24324149 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1769068 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1769064 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27734524 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL8231488 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL20121319 0.81 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL2620474 0.81 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL6656313 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAAKMT2A
Hydrochloric Acid SCHEMBL6500931 0.79 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2GAAKMT2A

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
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 US disclosed
EP-1451148-A2 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-01 EP disclosed
WO-2003045878-A2 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-06-05 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-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 NPC1 3946/4885RAB9A 3798/4885SMN1; SMN2 1673/4885

“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.