SCHEMBL19256230

SCHEMBL19256230

C[C@H](NSC(C)(C)C)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.40
LRRK2 Q5S007 1/20 0.40
GPR139 Q6DWJ6 1/20 0.38
SOS1 Q07889 1/20 0.38
ABCC9 O60706 1/20 0.38
KCNJ11 Q14654 1/20 0.38
NAMPT P43490 1/20 0.38
PFKFB3 Q16875 1/20 0.36
S1PR1 P21453 1/20 0.36
CNR2 P34972 5/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL22927647 0.82 HPGDS (0.42) CNR1GPR139CNR2ALDH1A1
SCHEMBL25913240 0.81 CNR1 (0.38) CNR1LRRK2GPR139SOS1ABCC9
SCHEMBL28236564 0.81 CNR1 (0.38) CNR1GPR139S1PR1CNR2ALDH1A1
SCHEMBL29215819 0.81 KIF11 (0.38) ABCC9KCNJ11ALDH1A1
SCHEMBL26463806 0.78 SOS1 (0.39) CNR1SOS1
SCHEMBL20327215 0.78 CA2 (0.32) SOS1
SCHEMBL319805 0.77 LRRK2 (0.44) CNR1LRRK2GPR139SOS1NAMPT
SCHEMBL13075567 0.77 LRRK2 (0.44) CNR1LRRK2GPR139SOS1NAMPT
SCHEMBL24424566 0.76 CASR (0.41) GPR139ALDH1A1
SCHEMBL22967822 0.74 KIF11 (0.35) CNR1CNR2ALDH1A1

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
CN-115461338-B 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof 小野药品工业株式会社 2024-02-20 CN disclosed
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2021-10-28 US disclosed
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2020-12-10 US disclosed
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-08-29 US disclosed
US-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-01-03 US disclosed
US-9937175-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2018-04-10 US disclosed
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI- AVENTIS (FR) 2017-08-17 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 (5 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-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 599/4885LRRK2 607/4885GPR139 1014/4885
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 606/4885LRRK2 586/4885GPR139 1076/4885
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885

“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.