SCHEMBL8779366

SCHEMBL8779366

O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.84
SRC P12931 9/20 0.84
SMN1; SMN2 Q16637 2/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
TP53 P04637 1/20 0.74
KDM4E B2RXH2 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
ALDH1A1 P00352 1/20 0.73
GAA P10253 1/20 0.73
RECQL P46063 1/20 0.73
HPGD P15428 1/20 0.72
LMNA P02545 1/20 0.72
MAPT P10636 1/20 0.72
DGAT1 O75907 1/20 0.68
ABCC8 Q09428 3/20 0.67
KCNJ11 Q14654 3/20 0.67
PTPN1 P18031 1/20 0.67

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
SCHEMBL3612969 0.85 SMN1; SMN2 (0.76) ABL1SRCSMN1; SMN2RAB9AKDM4E
SCHEMBL16971035 0.84 ABL1 (1.00) ABL1SRCSMN1; SMN2NPC1RAB9A
SCHEMBL8779355 0.83 RAB9A (0.70) ABL1SRCSMN1; SMN2RAB9AKDM4E
SCHEMBL28451175 0.83 ABL1 (0.67) ABL1SRCSMN1; SMN2NPC1RAB9A
SCHEMBL601080 0.82 DGAT1 (1.00) ABL1SRCDGAT1
SCHEMBL601079 0.82 DGAT1 (1.00) ABL1SRCDGAT1
SCHEMBL8779318 0.82 ABL1 (0.65) ABL1SRCSMN1; SMN2NPC1RAB9A
SCHEMBL7483795 0.80 MEN1 (0.65) ABL1SRCSMN1; SMN2NPC1RAB9A
SCHEMBL9593578 0.78 ABL1 (0.60) ABL1SRCSMN1; SMN2NPC1RAB9A
SCHEMBL8483666 0.78 ABL1 (0.59) ABL1SRCSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP claimed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP claimed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20190040448-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA THE GENERAL HOSPITAL CORPORATION 2019-02-07 US disclosed
US-20160251696-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA TUFTS MEDICAL CENTER 2016-09-01 US disclosed
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP disclosed
US-5401853-A Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.R.L. (IT) 1995-03-28 US disclosed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP 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 (3 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-20190040448-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA PTK2, BLK, BCL3 ABL1 18/4885SRC 19/4885SMN1; SMN2 3745/4885
US-20160251696-A1 METHODS OF DIAGNOSING AND TREATING B CELL ACUTE LYMPHOBLASTIC LEUKEMIA PTK2, BLK, BCL3 ABL1 18/4885SRC 19/4885SMN1; SMN2 3745/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS ABL1 1917/4885SRC 1353/4885SMN1; SMN2 3607/4885

“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.