SCHEMBL700746

SCHEMBL700746

Nc1ccccc1C1=NOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 3/20 0.39
IDO1 P14902 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 4/20 0.35
GAA P10253 4/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
AR P10275 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL8626370 0.77 CRBN (0.41) ALDH1A1L3MBTL1HSD17B10IDO1SMN1; SMN2
SCHEMBL3175492 0.77 HPGD (0.44) ALDH1A1L3MBTL1HSD17B10IDO1SMN1; SMN2
SCHEMBL7479018 0.77 CA12 (0.31) ALDH1A1L3MBTL1TDP1
SCHEMBL700713 0.73 CD44 (0.39) KDM4ECYP3A4ACHETDP1
SCHEMBL31040435 0.73 CD44 (0.39) KDM4ECYP3A4ACHETDP1
SCHEMBL29396692 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL570014 0.71 CHRNB4 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL9480764 0.70 CRBN (0.48) ALDH1A1L3MBTL1NPC1GAARAB9A
SCHEMBL14854458 0.70 MKNK1 (0.41)
SCHEMBL15286717 0.69

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 41 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-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
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
WO-2002056013-A2 OXAZOLIDINONE PHOTOAFFINITY PROBES, USES AND COMPOUNDS UPJOHN CO (US) 2002-07-18 WO disclosed
WO-2002048139-A2 OXAZOLIDINONE PHOTOAFFINITY PROBES PHARMACIA & UPJOHN COMPANY (US) 2002-06-20 WO disclosed
EP-1129082-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-2000029394-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 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 (2 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 2376/4885HSD17B10 436/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ALDH1A1 549/4885L3MBTL1 2376/4885HSD17B10 436/4885

“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.