SCHEMBL22208358

SCHEMBL22208358

O=C(NC1CCC(F)(F)CC1)c1csc2ncc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.41
▸ KDM1A O60341 8/20 0.41
▸ MAOB P27338 3/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CD38 P28907 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MAOA P21397 5/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22208369 0.86 CNR2 (0.52) CNR1CNR2ALDH1A1HPGDHTT
SCHEMBL22208372 0.84 OPRK1 (0.41) CNR1KDM1ACNR2MAOA
Methane SCHEMBL22208422 0.83 OPRK1 (0.41) CNR1KDM1ACNR2MAOA
SCHEMBL22208451 0.80 DYRK1A (0.43) CNR1KDM1AMAOBHSD11B1GSK3B
SCHEMBL22208307 0.71 TSHR (0.42) ALDH1A1HTT
SCHEMBL22208465 0.68 HTT (0.38) CNR2ALDH1A1HPGDHTT
SCHEMBL20995250 0.65 BMPR1B (0.54) CNR2
SCHEMBL22208414 0.65 CNR2 (0.47) CNR1CNR2DYRK1AALDH1A1HPGD
SCHEMBL20995251 0.65 BMPR1B (0.54) CNR2
SCHEMBL19028031 0.65 CNR2 (0.54) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2025-09-23 — — US disclosed
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-04-14 — — US disclosed
EP-3908277-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2021-11-17 — — EP disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 — — WO disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 — — WO 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-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same TNF, LITAF, PNLIP CNR1 2692/4885KDM1A 4464/4885MAOB 154/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP CNR1 2692/4885KDM1A 4464/4885MAOB 154/4885

“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.

Send feedback