SCHEMBL6445872

SCHEMBL6445872

O=C(Nc1ccc(F)cc1)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3O)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2A1 P68400 1/20 0.52
SNCA P37840 1/20 0.49
ABL1 P00519 3/20 0.47
SRC P12931 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
BACE1 P56817 1/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 3/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL6444549 0.93 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6447202 0.92 KMT2A (0.46) NPC1RAB9AKDM4ESMN1; SMN2ABL1
SCHEMBL6445978 0.91 SNCA (0.47) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6447053 0.90 CSNK2A2 (0.49) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6445760 0.90 CSNK2A2 (0.52) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6445844 0.90 ABL1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6444242 0.89 RAB9A (0.52) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL6445816 0.89 BCAT2 (0.49) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6446020 0.89 KMT2A (0.48) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL6449332 0.89 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US claimed
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 NPC1 1404/4885RAB9A 1792/4885KDM4E 4375/4885

“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.