SCHEMBL1682897

SCHEMBL1682897

CCCCOc1cc(-c2ccccn2)c2sc(NC(=O)NCC)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ABL1 P00519 10/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT1 P42224 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCD O00767 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1282481 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282602 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739672 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1707956 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1MAPT
SCHEMBL1282055 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1MAPT
SCHEMBL220474 0.83 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282358 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1682895 0.80 ABL1 (0.51) NPC1RAB9ASMN1; SMN2ABL1MAPT
SCHEMBL13562821 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ABL1CYP1A2
SCHEMBL13269595 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1

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-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS NPC1 1032/4885RAB9A 915/4885SMN1; SMN2 4065/4885

“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.