Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749233

SCHEMBL1749233

SCHEMBL1749233

N#Cc1c(F)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ RAB9A P51151 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ TXNRD3 Q86VQ6 1/20 0.36
▸ TXNRD2 Q9NNW7 1/20 0.36

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
SCHEMBL7550938 0.86 VCAM1 (0.47) VCAM1TDP1TSHRMAPK1ATM
SCHEMBL894816 0.82 TDP1 (0.60) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL1361699 0.82 TDP1 (0.44) VCAM1TDP1TSHRMAPK1ATM
SCHEMBL30583791 0.82 TDP1 (0.60) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL10989363 0.79 VCAM1 (0.47) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL5704379 0.79 VCAM1 (0.56) VCAM1TDP1TSHRATMALDH1A1
SCHEMBL9899689 0.79 TDP1 (0.42) VCAM1TDP1TSHRMAPK1ATM
SCHEMBL26928091 0.79 TDP1 (0.42) VCAM1TDP1TSHRMAPK1ATM
SCHEMBL9016834 0.79 TDP1 (0.44) VCAM1TDP1TSHRMAPK1ATM
SCHEMBL2551163 0.77 TDP1 (0.63) VCAM1TDP1TSHRMAPK1ATM

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
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 — — US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 — — US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 — — US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 — — US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 — — US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 — — US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 — — US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 — — US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 — — US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 — — US disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 — — WO disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 — — WO disclosed
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 — — EP disclosed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 — — WO disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 — — US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 — — EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 — — US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R VCAM1 697/4885TDP1 2420/4885TSHR 1021/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 VCAM1 3569/4885TDP1 3492/4885TSHR 3707/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 VCAM1 2302/4885TDP1 940/4885TSHR 1144/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R VCAM1 697/4885TDP1 2420/4885TSHR 1021/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 VCAM1 2413/4885TDP1 1005/4885TSHR 1216/4885
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT VCAM1 2968/4885TDP1 3345/4885TSHR 2277/4885

“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.