SCHEMBL2813746

SCHEMBL2813746

CC(C)(c1nnc(N)s1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
FBP1 P09467 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL15349261 0.82 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AKDM4EPTGS1
SCHEMBL26132311 0.82 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AKDM4EPTGS1
SCHEMBL11615294 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EFBP1POLBGAA
SCHEMBL282538 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4EPTGS1
SCHEMBL294025 0.77 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKDM4EFBP1
SCHEMBL12186574 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EFBP1POLBCA12
SCHEMBL19890809 0.73 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4EPTGS1
SCHEMBL10668001 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EFBP1POLBGAA
SCHEMBL11216278 0.70 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKDM4EPTGS1
SCHEMBL22736874 0.70 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKDM4EPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 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 (2 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 926/4885NPC1 417/4885RAB9A 799/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 660/4885NPC1 357/4885RAB9A 519/4885

“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.