SCHEMBL700662

SCHEMBL700662

Nc1ccccc1-c1ccon1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
IDO1 P14902 4/20 0.44
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
GAA P10253 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MDM2 Q00987 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACE2 Q9BYF1 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
SCHEMBL4059082 0.84 MDM2 (0.41) ALDH1A1KDM4ENPC1MDM2SMN1; SMN2
SCHEMBL20379117 0.84 ALDH1A1 (0.34) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL2122850 0.75 IDO1 (0.44) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL5542787 0.75 MDM2 (0.36) ALDH1A1KDM4ENPC1GAAMDM2
SCHEMBL29840757 0.75 NPC1 (0.45) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL2122583 0.75 NPC1 (0.45) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL4714608 0.75 CASP3 (0.44) ALDH1A1IDO1KDM4ENPC1HSD17B10
SCHEMBL1176651 0.75 MDM2 (0.36) ALDH1A1KDM4ENPC1MDM2RAB9A
SCHEMBL29840696 0.75 IDO1 (0.46) ALDH1A1IDO1KDM4ENPC1SMN1; SMN2
SCHEMBL29947384 0.75 IDO1 (0.44) ALDH1A1L3MBTL1IDO1KDM4ENPC1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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-1129082-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
EP-1077955-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-2000029394-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO 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 ALDH1A1 549/4885L3MBTL1 2376/4885IDO1 664/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ALDH1A1 549/4885L3MBTL1 2376/4885IDO1 664/4885
US-20030220505-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 ALDH1A1 229/4885L3MBTL1 3187/4885IDO1 362/4885
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene UQCRB, CYP1B1, CYP2F1 ALDH1A1 274/4885L3MBTL1 2070/4885IDO1 550/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 ALDH1A1 352/4885L3MBTL1 2147/4885IDO1 725/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 ALDH1A1 229/4885L3MBTL1 3187/4885IDO1 362/4885

“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.