SCHEMBL703308

SCHEMBL703308

O=C(O)c1cccc(C2=NOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.50
KEAP1 Q14145 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
CD74 P04233 1/20 0.44
MIF P14174 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
DDT P30046 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL1499925 0.80 CRBN (0.45) RXRARXRBKDM4EALDH1A1NPC1
SCHEMBL6678037 0.77 BRD4 (0.30)
SCHEMBL6658548 0.76 FAAH (0.33) HPGD
Fluoride SCHEMBL21332075 0.75 KMO (0.83) KMOKEAP1RXRARXRBCD74
SCHEMBL10750315 0.75 KMO (0.46) KMOKEAP1RXRARXRBCD74
SCHEMBL29904709 0.73 KMO (0.86) KMOKEAP1RXRARXRBCD74
SCHEMBL30725957 0.73 KMO (0.86) KMOKEAP1RXRARXRBCD74
SCHEMBL71238 0.73 KMO (0.86) KMOKEAP1RXRARXRBCD74
Water SCHEMBL10348973 0.71 KMO (0.83) KMOKEAP1RXRARXRBCD74
Hydrochloric Acid SCHEMBL21173951 0.71 KMO (0.83) KMOKEAP1RXRARXRBCD74

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
WO-2020152200-A1 PROCESS FOR PREPARATION OF HETEROARYLKETONES BASF SE (DE) 2020-07-30 WO disclosed
US-8124810-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2012-02-28 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 US disclosed
US-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
US-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2007-07-12 US disclosed
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2003-11-20 US disclosed
US-6541642-B1 Reaction of crotonaldehyde with hydroxylamine, followed by a reaction of the produced oxime, while changing to nitrile oxide, with ethylene to form (E)-3-(1-propenyul)-2-iosxazoline NIPPON SODA CO., LTD. (JP) 2003-04-01 US disclosed
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2003-01-23 US disclosed
EP-1174429-A1 PROCESS FOR THE PREPARATION OF (E)-3-(1-PROPENYL)ISOXAZOLINE NIPPON SODA CO., LTD. (JP) 2002-01-23 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 (5 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-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene CBR3, UQCRB, CYP4X1 KMO 525/4885KEAP1 2177/4885RXRA 423/4885
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB KMO 556/4885KEAP1 2189/4885RXRA 445/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB KMO 556/4885KEAP1 2189/4885RXRA 445/4885
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene UQCRB, CYP1B1, CYP2F1 KMO 647/4885KEAP1 2792/4885RXRA 387/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 KMO 704/4885KEAP1 3015/4885RXRA 305/4885

“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.