SCHEMBL24190643

SCHEMBL24190643

O=C(O)[C@@H]1CC(O)CCN1c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 4/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.38
SERPINE1 P05121 1/20 0.38
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTPS1 P17812 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
SCHEMBL30660992 1.00 GAA (0.47) GAATDP1MAPK1PKMRAB9A
SCHEMBL31343563 0.88 TDP1 (0.51) GAATDP1MAPK1PKMRAB9A
SCHEMBL31343649 0.88 TDP1 (0.51) GAATDP1MAPK1PKMRAB9A
SCHEMBL38658481 0.83 GAA (0.50) GAATDP1MAPTALDH1A1MEN1
SCHEMBL30660982 0.79 TDP1 (0.43) GAATDP1MAPK1PKMRAB9A
SCHEMBL24190709 0.79 KMT2A (0.43) GAATDP1MAPK1PKMRAB9A
SCHEMBL30660971 0.79 KMT2A (0.43) GAATDP1MAPK1PKMRAB9A
SCHEMBL24190129 0.79 TDP1 (0.43) GAATDP1MAPK1PKMRAB9A
SCHEMBL22278618 0.77 MAPT (0.66) GAATDP1MAPK1PKMMAPT
SCHEMBL6541698 0.76 MAPT (0.56) GAATDP1MAPK1PKMRAB9A

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
CN-112839931-B 1,2,3, 4-tetrahydroquinoxaline derivative, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-12-01 CN disclosed
US-20220009894-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-01-13 US disclosed
US-20220009894-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-01-13 US disclosed
EP-3915977-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2021-12-01 EP disclosed
CN-112839931-A 1,2,3, 4-tetrahydroquinoxaline derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2021-05-25 CN 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 (1 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-20220009894-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORA, RORB, RORC GAA 3493/4885TDP1 3561/4885MAPK1 1174/4885

“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.