SCHEMBL76864

SCHEMBL76864

NC(=O)C(=C1Nc2ccc(OCCn3ccnc3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.43
NOS1 P29475 2/20 0.43
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL76863 1.00 TBXAS1 (0.43) TBXAS1NOS1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL77228 0.99 TBXAS1 (0.43) TBXAS1NOS1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL77229 0.99 TBXAS1 (0.43) TBXAS1NOS1MEN1LMNAKMT2A
SCHEMBL86055 0.87 HMOX1 (0.36) TBXAS1MEN1LMNAKMT2AKDM4E
SCHEMBL77685 0.87 HMOX1 (0.36) TBXAS1MEN1LMNAKMT2AKDM4E
SCHEMBL86095 0.85 AGTR2 (0.39) TBXAS1CYP19A1
SCHEMBL86104 0.85 SYK (0.40) LMNAKMT2AKDM4EALDH1A1
SCHEMBL86068 0.84 NAMPT (0.42) MEN1KMT2AALDH1A1CYP19A1
SCHEMBL86208 0.83 SYK (0.40) KDM4EALDH1A1
SCHEMBL86105 0.83 SYK (0.36) KMT2AKDM4EALDH1A1

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-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 TBXAS1 1133/4885NOS1 3608/4885MEN1 3485/4885

“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.