SCHEMBL104262

SCHEMBL104262

Cc1ccc(C(=O)C[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
PKM P14618 2/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL26687976 0.84 MAPK1 (0.57) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL27858771 0.82 PTPN1 (0.52) GSK3BPKMNPC1RAB9AALDH1A1
SCHEMBL8480948 0.81 L3MBTL1 (0.42) GSK3BPKMNPC1RAB9AKMT2A
SCHEMBL29201803 0.81 ALDH1A1 (0.52) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL904211 0.81 KMT2A (0.56) GSK3BPKMNPC1RAB9AKMT2A
SCHEMBL2867066 0.80 GSK3B (0.67) GSK3BPKMALDH1A1LMNACES2
SCHEMBL105102 0.80 GSK3B (0.55) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL6782133 0.80 NPC1 (0.53) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL9386214 0.80 GSK3B (0.55) GSK3BNPC1RAB9AKMT2AALDH1A1
SCHEMBL26966709 0.80 KMT2A (0.44) GSK3BPKMNPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947924-B Preparation method and application of dihydroisoxazole benzophenone derivative and dihydroisoxazole benzophenone derivative 石河子大学 2022-05-10 CN disclosed
CN-111704630-A 3-arylformyl naphtho-isoxazole or 3-arylformyl anthraceno-isoxazole derivative and synthetic method thereof 上海大学 2020-09-25 CN disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
CN-101652354-A insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG DE 2010-02-17 CN disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO disclosed
US-6686505-B2 HYDROGENATION OF NITRO KETONE OR CYANO KETONE IN PRESENCE OF TRANSITION METAL COMPOUND CATALYST; AMINATION KANTO KAGUKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 EP disclosed
US-5630872-A METAL ALKOXIDES, NITRO COMPOUNDS MITSUBISHI MATERIALS CORPORATION (JP) 1997-05-20 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 (3 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 GSK3B 2831/4885PKM 2402/4885NPC1 1892/4885
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 GSK3B 2751/4885PKM 2952/4885NPC1 1483/4885
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore ADH1A, NOS1, ADH5 GSK3B 2496/4885PKM 334/4885NPC1 3259/4885

“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.