SCHEMBL4331730

SCHEMBL4331730

Cc1cc(F)c(C)nc1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.31
MBNL1 Q9NR56 1/20 0.31

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
SCHEMBL18791402 0.85 SMN1; SMN2 (0.36) SMN1; SMN2ACHE
SCHEMBL694204 0.78 NOS3 (0.41) NOS3NOS1NOS2SMN1; SMN2ACHE
SCHEMBL18697135 0.77 NOS3 (0.39) NOS3NOS1NOS2SMN1; SMN2CYP1A2
SCHEMBL10144932 0.77 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL21765488 0.77 TDP1 (0.33) NOS3NOS1NOS2
SCHEMBL23263839 0.74 LMNA (0.38) SMN1; SMN2
SCHEMBL21603277 0.74 HPGD (0.43) SMN1; SMN2ACHE
SCHEMBL29331735 0.74 APP (0.32) SMN1; SMN2
SCHEMBL27194684 0.74 TERT (0.33) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL4131179 0.74 SMN1; SMN2 (0.30) SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 US disclosed
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 US disclosed
EP-4166551-A1 TRIAZOLONE COMPOUND Medshine Discovery Inc. (CN) 2023-04-19 EP disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 NOS3 1405/4885NOS1 2553/4885NOS2 1528/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 NOS3 3019/4885NOS1 3988/4885NOS2 3349/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 NOS3 1599/4885NOS1 1672/4885NOS2 1849/4885

“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.