SCHEMBL22208465

SCHEMBL22208465

CCC(CC)NC(=O)c1csc2ncc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAS1R3 Q7RTX0 4/20 0.36
▸ TAS1R1 Q7RTX1 4/20 0.36
▸ TAS1R2 Q8TE23 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ FPR1 P21462 1/20 0.32
▸ ULK1 O75385 2/20 0.32

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
SCHEMBL22208399 0.78 HTT (0.38) HTTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22208307 0.75 TSHR (0.42) HTTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL22208390 0.74 AAK1 (0.36) —
SCHEMBL22208369 0.72 CNR2 (0.52) HTTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22208372 0.70 OPRK1 (0.41) CNR2
SCHEMBL25776998 0.69 ALDH1A1 (0.64) HTTSMN1; SMN2TAS1R3TAS1R1TAS1R2
Methane SCHEMBL22208422 0.69 OPRK1 (0.41) CNR2
SCHEMBL22208358 0.68 CNR1 (0.41) HTTHPGDALDH1A1CNR2
SCHEMBL22208367 0.65 SMN1; SMN2 (0.36) HTTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3341029 0.63 SMN1; SMN2 (0.50) HTTSMN1; SMN2NPC1RAB9ATAS1R3

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 HTT 1602/4885SMN1; SMN2 697/4885KDM4E 4580/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP HTT 1602/4885SMN1; SMN2 697/4885KDM4E 4580/4885

“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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