SCHEMBL6445844

SCHEMBL6445844

O=C(Nc1cccc(F)c1)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3O)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.48
SRC P12931 3/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGER3 P43115 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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 0.91 NPC1 (0.46) ABL1SRCNPC1RAB9AKDM4E
SCHEMBL6444557 0.91 NPC1 (0.50) ABL1SRCNPC1RAB9AHPGD
SCHEMBL6445872 0.90 NPC1 (0.53) ABL1SRCNPC1RAB9AKDM4E
SCHEMBL6447053 0.89 CSNK2A2 (0.49) ABL1SRCNPC1RAB9AKDM4E
SCHEMBL6445760 0.86 CSNK2A2 (0.52) ABL1SRCNPC1RAB9AKDM4E
SCHEMBL6444705 0.86 MAPK1 (0.57) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL6447202 0.86 KMT2A (0.46) ABL1SRCNPC1RAB9AKDM4E
SCHEMBL6445643 0.86 CSNK2A2 (0.46) ABL1SRCNPC1RAB9AKDM4E
SCHEMBL6445904 0.85 BLM (0.49) PTGER3MAPT
SCHEMBL6448936 0.85 KMT2A (0.51) ABL1SRCNPC1RAB9ASMN1; 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 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 ABL1 2865/4885SRC 3087/4885NPC1 1404/4885

“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.