SCHEMBL2495302

SCHEMBL2495302

[NH]S(=O)(=O)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
NAPRT Q6XQN6 2/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNA1 Q09470 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1416290 0.78 TSHR (0.55) LMNAMAPTNAPRTALDH1A1SMN1; SMN2
SCHEMBL28783303 0.78 TSHR (0.55) LMNAMAPTNAPRTALDH1A1SMN1; SMN2
Methane SCHEMBL28861733 0.76 TSHR (0.52) LMNAMAPTNAPRTALDH1A1SMN1; SMN2
SCHEMBL9750267 0.76 TSHR (0.52) LMNAMAPTNAPRTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27466287 0.76 TSHR (0.52) LMNAMAPTNAPRTALDH1A1SMN1; SMN2
SCHEMBL3945757 0.74 LMNA (0.40) NFE2L2LMNAMAPTNAPRTALDH1A1
SCHEMBL1134359 0.74 ALDH1A1 (0.57) NFE2L2LMNAMAPTNAPRTALDH1A1
SCHEMBL23531714 0.74 CA2 (0.40) LMNAMAPTALDH1A1SMN1; SMN2CYP2D6
Formaldehyde SCHEMBL27406514 0.74 TSHR (0.50) LMNAMAPTNAPRTALDH1A1SMN1; SMN2
SCHEMBL15695401 0.74 CYP2C19 (0.37) LMNAMAPTALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US claimed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US claimed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP claimed
JP-2003502280-A 2003-01-21 JP claimed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP claimed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 WO claimed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US disclosed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US disclosed
US-6624171-B1 Useful as cyclin dependent kinase 11 inhibitors, for preventing/reducing the severity of epithelial cytotoxicity side-effects (e.g., alopecia, plantar- palmar syndrome, mucositis) induced by chemotherapy and/or radiation therapy SMITHKLINE BEECHAM CORPORATION 2003-09-23 US disclosed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP disclosed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP disclosed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT NFE2L2 3677/4885LMNA 3234/4885MAPT 1533/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT NFE2L2 4160/4885LMNA 2372/4885MAPT 2061/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 NFE2L2 1568/4885LMNA 3349/4885MAPT 672/4885
US-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A NFE2L2 892/4885LMNA 4621/4885MAPT 4201/4885

“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.