SCHEMBL21639623

SCHEMBL21639623

Nc1cccc2cc(C(=O)Nc3cccc(C(=O)OC(=O)C(F)(F)F)c3)c(=O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.40
▸ BRAF P15056 3/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ TYMS P04818 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL21639625 0.85 PPARG (0.44) PTGS1RAB9AMEN1NPC1KMT2A
SCHEMBL21674069 0.82 MEN1 (0.47) RAB9AMEN1NPC1KMT2ATYMS
SCHEMBL21639501 0.73 RAB9A (0.51) RAB9AMEN1NPC1KMT2A
Trifluoroacetic Acid SCHEMBL28330975 0.72 NPC1 (0.47) RAB9AMEN1NPC1KMT2ACNR2
SCHEMBL21639644 0.68 CA12 (0.48) RAB9ANPC1
SCHEMBL21639579 0.67 APEX1 (0.52) RAB9AMEN1NPC1KMT2APOLB
SCHEMBL10330656 0.65 GPR17 (0.54) RAB9AMEN1NPC1KMT2APOLB
SCHEMBL23066443 0.64 NSD2 (0.50) RAB9AMEN1NPC1KMT2AMAOB
SCHEMBL21674068 0.63 EGFR (0.41) RAB9AMEN1NPC1KMT2AMAOB
SCHEMBL21639550 0.63 MAOA (0.52) RAB9AMEN1NPC1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 — — US disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 — — EP 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-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TOP2A, TOP2B, TOP1 PTGS1 641/4885BRAF 3711/4885RAB9A 1916/4885

“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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