SCHEMBL22208369

SCHEMBL22208369

O=C(NC1CCCCC1)c1csc2ncc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ TYR P14679 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL22208372 0.88 OPRK1 (0.41) CNR2CNR1OPRK1
Methane SCHEMBL22208422 0.87 OPRK1 (0.41) CNR2CNR1OPRK1
SCHEMBL22208358 0.86 CNR1 (0.41) CNR2ALDH1A1HPGDHTTL3MBTL1
SCHEMBL22208414 0.78 CNR2 (0.47) CNR2ALDH1A1HPGDMEN1KMT2A
SCHEMBL22208366 0.77 LMNA (0.41) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL22208307 0.74 TSHR (0.42) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL22208465 0.72 HTT (0.38) CNR2ALDH1A1HPGDHTTNPC1
SCHEMBL22558810 0.71 CNR2 (0.55) CNR2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31633608 0.71 CNR2 (0.55) CNR2ALDH1A1HPGDMEN1KMT2A
SCHEMBL19522495 0.71 CNR2 (0.58) CNR2MEN1KMT2ACYP1A2CYP2C19

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 CNR2 2152/4885ALDH1A1 2865/4885HPGD 171/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP CNR2 2152/4885ALDH1A1 2865/4885HPGD 171/4885

“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.

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