Sugi Predict

Sugi Predict / Compounds / SCHEMBL3634573

SCHEMBL3634573

SCHEMBL3634573

ClC(Cl)(Cl)c1nc(-c2ccccc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.57
▸ NOTUM Q6P988 2/20 0.53
▸ SMN1; SMN2 Q16637 9/20 0.50
▸ TP53 P04637 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ NFKB1 P19838 5/20 0.47
▸ NFKB2 Q00653 5/20 0.47
▸ RELA Q04206 5/20 0.47
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL17377373 0.83 NOTUM (0.53) NR1H4NOTUMSMN1; SMN2TP53CYP1A2
SCHEMBL28630172 0.82 SMN1; SMN2 (0.57) NR1H4SMN1; SMN2TP53HSD17B10MEN1
SCHEMBL4227737 0.81 NR1H4 (0.56) NR1H4SMN1; SMN2TP53MEN1CYP1A2
SCHEMBL4957967 0.81 NPC1 (0.52) SMN1; SMN2TP53MEN1KMT2ARAB9A
SCHEMBL1435986 0.81 CHRNB2 (0.63) SMN1; SMN2TP53HSD17B10CYP1A2KDM4E
SCHEMBL77622 0.81 NR1H4 (0.57) NR1H4NOTUMSMN1; SMN2TP53HSD17B10
SCHEMBL10552640 0.81 HDAC4 (0.62) NR1H4HDAC4
SCHEMBL7019255 0.80 NR1H4 (0.54) NR1H4SMN1; SMN2TP53MEN1CYP1A2
SCHEMBL29176843 0.80 L3MBTL1 (0.44) NR1H4SMN1; SMN2TP53HSD17B10MEN1
SCHEMBL4958154 0.80 TP53 (0.52) SMN1; SMN2TP53RAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679368-A Aryl azoles, aryl diazole and benzimidizole derivatives HOFFMANN LA ROCHE 2010-03-24 — — CN disclosed
EP-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 — — EP disclosed
EP-1797094-A4 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2009-06-03 — — EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 — — WO disclosed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 — — EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — WO disclosed
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 — — US disclosed
US-5891893-A 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 — — US disclosed
US-5891894-A 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 — — US disclosed
US-5780468-A ANTAGONIST OF PLATELET ACTIVATING FACTOR SANOFI (FR) 1998-07-14 — — US disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 — — US disclosed
US-4166818-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1979-09-04 — — US disclosed
US-4163048-A Acylamino-1,2,4-oxadiazole or thiadiazole derivatives as anti-hypersensitivity agents LILLY INDUSTRIES LIMITED (GB) 1979-07-31 — — 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 (3 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 NR1H4 1463/4885NOTUM 566/4885SMN1; SMN2 3927/4885
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 NR1H4 890/4885NOTUM 4775/4885SMN1; SMN2 1128/4885
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES SSTR5, NPY5R, SSTR3 NR1H4 206/4885NOTUM 4071/4885SMN1; SMN2 2801/4885

“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.