SCHEMBL25342802

SCHEMBL25342802

Cc1cn(-c2cccc(C=O)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
FGFR1 P11362 1/20 0.48
MAPK13 O15264 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR2E1 Q9Y466 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL29466275 1.00 CYP2E1 (0.50) CYP2E1CYP2A6FGFR1MAPK13MAOA
SCHEMBL8037303 0.82 CYP1A2 (0.53) CYP2E1CYP2A6MAOAMAOBALDH1A1
SCHEMBL29569613 0.81 FGFR1 (0.45) FGFR1MAOAMAOBALDH1A1
SCHEMBL25343448 0.81 FGFR1 (0.45) FGFR1MAOAMAOBALDH1A1
SCHEMBL3562687 0.79 CYP2E1 (0.54) CYP2E1CYP2A6MAPK13MAOAMAOB
SCHEMBL12146179 0.79 KDM2B (0.55) CYP2E1CYP2A6FGFR1MAPK13MAOA
SCHEMBL27913803 0.78 FGFR1 (0.45) CYP2A6FGFR1ALDH1A1KDM2BPHF8
SCHEMBL29935829 0.76 FGFR1 (0.51) CYP2A6FGFR1MAOAMAOBALDH1A1
SCHEMBL9451324 0.76 CYP2E1 (0.54) CYP2E1CYP2A6FGFR1MAPK13MAOA
SCHEMBL6803732 0.76 NR2E1 (0.55) CYP2E1CYP2A6MAPK13MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
CN-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 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-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 CYP2E1 12/4885CYP2A6 28/4885FGFR1 3567/4885

“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.