Sugi Predict

Sugi Predict / Compounds / SCHEMBL2509178

SCHEMBL2509178

SCHEMBL2509178

CCC(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ TSHR P16473 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ACP3 P15309 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ ACHE P22303 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GRM8 O00222 3/20 0.46
▸ GRM6 O15303 3/20 0.46

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
SCHEMBL6898173 1.00 L3MBTL1 (0.65) L3MBTL1MEN1HPGDKMT2ATSHR
Acetic Acid SCHEMBL6905316 0.94 L3MBTL1 (0.59) L3MBTL1MEN1HPGDKMT2ATSHR
Benzaldehyde SCHEMBL10900745 0.88 MEN1 (0.53) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL9158002 0.87 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9157996 0.87 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL2367944 0.86 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL1983563 0.86 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL19339253 0.86 L3MBTL1 (0.60) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL2234292 0.85 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9154689 0.85 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR

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
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 — — EP claimed
US-10113025-B2 Functionalized ketone-aldehyde condensation resins EVONIK DEGUSSA GMBH (DE) 2018-10-30 — — US disclosed
US-20160289366-A1 FUNCTIONALIZED KETONE-ALDEHYDE CONDENSATION RESINS EVONIK DEGUSSA GMBH (DE) 2016-10-06 — — US disclosed
EP-3075788-A1 FUNCTIONALIZED KETONE ALDEHYDE CONDENSATION RESINS Evonik Degussa GmbH (DE) 2016-10-05 — — EP disclosed
EP-3075789-A1 FUNCTIONALISED KETONE ALDEHYDE CONDENSATION RESINS Evonik Degussa GmbH (DE) 2016-10-05 — — EP disclosed
CN-104395302-A 1- [ m-carboxamido (hetero) aryl-methyl ] -heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD 2015-03-04 — — CN disclosed
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 — — US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 — — US disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 — — US disclosed
CN-100471832-C Process to produce a protease inhibitor PHARMACIA & UPJOHN CO LLC (US) 2009-03-25 — — CN disclosed
CN-1284763-C Novel intemediate for preparing 4-hydroxy-2-oxygen-pyran derivatives as protease inhibitor PHARMACIA & UPJOHN CO LLC (US) 2006-11-15 — — CN disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
CN-1511820-A Novel intemediate for preparing 4-hydroxy-2-oxygen-pyran derivatives as protease inhibitor �������Ŷ���Լ��������˾ 2004-07-14 — — CN disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO disclosed
CN-1268947-A Novel process for preparing 4-hydroxy-2-oxo-pyran derivatives as protease inhibitors UPJOHN CO (US) 2000-10-04 — — CN disclosed
US-4348223-A FOR PREEMERGENT AND POSTEMERGENT APPLICATION PPG INDUSTRIES, INC. (US) 1982-09-07 — — US 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 L3MBTL1 703/4885MEN1 2953/4885HPGD 4160/4885
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 L3MBTL1 449/4885MEN1 4149/4885HPGD 3446/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 L3MBTL1 503/4885MEN1 3022/4885HPGD 4207/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F L3MBTL1 2836/4885MEN1 528/4885HPGD 1481/4885

“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.