SCHEMBL750424

SCHEMBL750424

CCN(CC)S(=O)(=O)c1cncc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CG P48736 1/20 0.46
TSHR P16473 3/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL768367 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL196097 0.81 SMN1; SMN2 (0.53) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL11668840 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL1347001 0.81 SMN1; SMN2 (0.49) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL26614777 0.79 POLB (0.42) SMN1; SMN2HTTMAPTRAB9AKDM4E
SCHEMBL31375063 0.79 POLB (0.42) SMN1; SMN2HTTMAPTRAB9AKDM4E
SCHEMBL2205714 0.78 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL15653319 0.78 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL11641181 0.77 ALDH1A1 (0.48) ALDH1A1NPSR1SMN1; SMN2LMNAHTT
SCHEMBL15053091 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 WO disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
US-4921867-A Pyridine compounds useful for therapy or prophylaxis of a disease associated with airway obstruction GLAXO GROUP LIMITED (GB) 1990-05-01 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 (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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 93/4885NPSR1 1334/4885SMN1; SMN2 3700/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 93/4885NPSR1 1334/4885SMN1; SMN2 3700/4885
US-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B ALDH1A1 3163/4885NPSR1 611/4885SMN1; SMN2 3577/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B ALDH1A1 3163/4885NPSR1 611/4885SMN1; SMN2 3577/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 ALDH1A1 4083/4885NPSR1 3129/4885SMN1; SMN2 4391/4885
US-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B ALDH1A1 3163/4885NPSR1 611/4885SMN1; SMN2 3577/4885

“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.