SCHEMBL25863196

SCHEMBL25863196

CC(C)(C)OC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 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
SCHEMBL25863291 0.85 CA1 (0.37) MMP1MMP2MMP9MMP8MMP13
SCHEMBL25863199 0.85 LCK (0.39) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13833547 0.81 SMN1; SMN2 (0.45) ABCB1ABCC1NPC1RAB9AMAPT
SCHEMBL29430688 0.81 ABCB1 (0.53) ABCB1ABCC1NPC1RAB9AALDH1A1
SCHEMBL30118370 0.81 SMN1; SMN2 (0.45) ABCB1ABCC1NPC1RAB9AMAPT
SCHEMBL975856 0.81 ABCB1 (0.53) ABCB1ABCC1NPC1RAB9AALDH1A1
SCHEMBL26343169 0.80 TDP1 (0.51) NPC1RAB9AALDH1A1MAPK1MAPT
SCHEMBL21395532 0.76 LCK (0.38) LCKNPC1RAB9AALDH1A1HTT
SCHEMBL5706614 0.75 ABCB1 (0.47) ABCB1ABCC1NPC1RAB9AALDH1A1
SCHEMBL17722017 0.74 RECQL (0.43) NPC1RAB9AALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702399-B2 Quinazolinone derivative, preparation method therefor, pharmaceutical composition, and applications KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-07-18 — — US 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-11702399-B2 Quinazolinone derivative, preparation method therefor, pharmaceutical composition, and applications CYP4F11, WEE1, CYP51A1 MMP1 1166/4885MMP2 1396/4885MMP9 1688/4885

“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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