SCHEMBL4137597

SCHEMBL4137597

CCCCCCCCCCNC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 4/20 0.54
MAPK1 P28482 3/20 0.54
POLB P06746 2/20 0.54
ATAD2 Q6PL18 1/20 0.49
HPGD P15428 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL10078883 1.00 NPC1 (0.54) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL77076 0.99 NPC1 (0.55) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL77627 0.89 NPC1 (0.59) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL91614 0.89 LMNA (0.46) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL78204 0.82 KMT2A (0.62) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL10084855 0.82 LMNA (0.57) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL20788543 0.80 NPC1 (0.77) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL77371 0.80 KMT2A (0.63) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL10083282 0.80 LMNA (0.58) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL77674 0.79 MAPK1 (0.56) NPC1RAB9AALDH1A1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 NPC1 4189/4885RAB9A 1751/4885ALDH1A1 4657/4885

“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.