SCHEMBL20595677

SCHEMBL20595677

CC(C)(C)N(C(=O)O)c1nc2ccc(Br)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
DYRK1A Q13627 1/20 0.50
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
IDE P14735 1/20 0.47
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL2482877 0.84 HTT (0.61) CYP1A2CYP3A4CYP2C9CYP2C19DYRK1A
SCHEMBL3410201 0.83 HTT (0.42) PPARARAB9ANPC1CYP1A2CYP3A4
SCHEMBL2099021 0.78 PPARA (0.43) PPARARAB9ANPC1CYP1A2CYP3A4
SCHEMBL30099389 0.77 PPARA (0.49) PPARARAB9ANPC1CYP1A2CYP3A4
SCHEMBL3405702 0.77 HTT (0.37) PPARARAB9ANPC1DYRK1ASMN1; SMN2
SCHEMBL22363218 0.77 ALDH1A1 (0.38) PPARADYRK1AMAPK1SMN1; SMN2HTT
SCHEMBL25303328 0.76 RAB9A (0.59) PPARARAB9ANPC1CYP1A2CYP3A4
SCHEMBL21154487 0.76 HTT (0.65) PPARARAB9ANPC1CYP1A2CYP3A4
SCHEMBL29970794 0.76 HTT (0.65) PPARARAB9ANPC1CYP1A2CYP3A4
SCHEMBL2485036 0.75 CACNA1B (0.50) PPARARAB9ANPC1CYP1A2HTT

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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
EP-3642193-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2020-04-29 EP disclosed
WO-2018237370-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2018-12-27 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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP PPARA 916/4885RAB9A 2020/4885NPC1 166/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP PPARA 916/4885RAB9A 2020/4885NPC1 166/4885

“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.