Sugi Predict

Sugi Predict / Compounds / SCHEMBL699676

SCHEMBL699676

SCHEMBL699676

Cc1cccc([N+](=O)[O-])c1/C=N\O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GPR35 Q9HC97 2/20 0.44
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40

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
SCHEMBL30978820 1.00 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL699677 1.00 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29196783 0.88 GPR35 (0.52) TSHRSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL701357 0.80 MEN1 (0.49) SMN1; SMN2TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL701358 0.80 MEN1 (0.49) SMN1; SMN2TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL28912642 0.80 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL700297 0.79 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL5803088 0.78 HPGD (0.46) TSHRSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL5803087 0.78 HPGD (0.46) TSHRSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL9453433 0.75 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481787-A Method for preparing 3-(2-methyl-6-nitrophenyl)-4,5-dihydroisoxazole HUNAN HAILI CHEMICAL IND CO LTD 2016-04-13 — — CN 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
CN-101113137-B Intermidiate for preparing 1,2-oxygen nitrogen heterocyclic-2-alkene acylbenzene and its preparation BASF AG 2010-12-29 — — CN disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 — — US disclosed
US-6608209-B2 Reacting a nitro-o-methylphenyl compound with an organic nitrite in presence of a base to give an oxime, cyclizing the oxime with an alkene in presence of a base to give an intermediate, reducing nitrogroup in presence of catalyst BASF AKTIENGESELLSCHAFT (DE) 2003-08-19 — — US disclosed
US-6525204-B1 Oximination reaction of nitro-o-methylphenyl compound with organic nitrite; cyclization with alkene in basic catalyst presence; reduction, bromination, oxidation, carboxylation BASF AKTIENGESELLSCHAFT (DE) 2003-02-25 — — 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
CN-1300284-A Preparation of isoxazolin-3-yl-acylbenzenes BASF AG (DE) 2001-06-20 — — CN 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 (4 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 TSHR 353/4885SMN1; SMN2 4343/4885HSD17B10 436/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB TSHR 353/4885SMN1; SMN2 4343/4885HSD17B10 436/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 TSHR 588/4885SMN1; SMN2 4220/4885HSD17B10 383/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 TSHR 977/4885SMN1; SMN2 4698/4885HSD17B10 374/4885

“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.