SCHEMBL700343

SCHEMBL700343

Brc1cccc(C2=NOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 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
SCHEMBL27911084 0.80 NISCH (0.39) MEN1KMT2AALDH1A1MAOA
SCHEMBL29899213 0.79 CHRNB4 (0.51) CHRNB4CHRNA3CA1CA2RAB9A
SCHEMBL6070248 0.77 GAA (0.38) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL570014 0.77 CHRNB4 (0.42) CHRNB4CHRNA3KMT2ACA1CA2
SCHEMBL12209197 0.75 NOTUM (0.49) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL703308 0.73 KMO (0.50) CA1CA2RAB9ANPC1SMN1; SMN2
SCHEMBL27490806 0.73 CHRNB4 (0.39) CHRNB4CHRNA3KMT2ACA1CA2
SCHEMBL29089808 0.69 CHRNB4 (0.44) CHRNB4CHRNA3MEN1KMT2ARAB9A
Piperazine SCHEMBL27688453 0.69 HTR7 (0.40) CHRNB4CHRNA3RAB9ANPC1SMN1; SMN2
SCHEMBL2807123 0.69 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2HPGD

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 24 patents — showing the first 20. 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
EP-2325176-B1 Process for the preparation of Isoxazolin-3-yl-Acylbenzenes BASF SE (DE) 2015-02-25 EP disclosed
EP-2298749-B1 Process for the preparation of Thioethers BASF SE (DE) 2014-12-24 EP 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
EP-2325176-A1 Process for the preparation of isoxazolin-3-yl-acylbenzenes BASF SE (DE) 2011-05-25 EP disclosed
EP-2298749-A1 Process for the preparation of Thioethers BASF SE (DE) 2011-03-23 EP 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
EP-1129082-B1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AG (DE) 2004-09-29 EP disclosed
US-6706886-B2 HERBICIDES; 3-(2-THIO-)-PHENYLISOXAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
US-6670482-B2 Which are used as herbicides, by forming a 2-(isoxazol-3-yl)-aniline compound of given formula and then halogenation, thioalkylation, oxidation and acylation; fewer steps, efficiency BASF AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed
US-20030220505-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes VON DEYN WOLFGANG (DE) 2003-11-27 US disclosed
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2003-11-20 US disclosed
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes DEYN WOLFGANG VON (DE) 2003-02-06 US disclosed
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2003-01-23 US disclosed
US-6469176-B1 CROP PROTECTION COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
EP-1077955-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-1999058509-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO 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 (6 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-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB CHRNB4 2407/4885CHRNA3 1502/4885MEN1 2904/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB CHRNB4 2407/4885CHRNA3 1502/4885MEN1 2904/4885
US-20030220505-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 CHRNB4 2799/4885CHRNA3 2267/4885MEN1 4131/4885
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene UQCRB, CYP1B1, CYP2F1 CHRNB4 2463/4885CHRNA3 1819/4885MEN1 3496/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 CHRNB4 2442/4885CHRNA3 1725/4885MEN1 3550/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 CHRNB4 2799/4885CHRNA3 2267/4885MEN1 4131/4885

“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.