SCHEMBL2331757

SCHEMBL2331757

O=S(=O)(c1cc(F)c(F)cc1Br)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
HTT P42858 1/20 0.55
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46
GAA P10253 2/20 0.45
COMT P21964 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ATAD2 Q6PL18 1/20 0.44
NPBWR1 P48145 1/20 0.44

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
SCHEMBL6034241 0.88 PKM (0.58) TSHRHTTPOLBL3MBTL1SMN1; SMN2
SCHEMBL6035064 0.86 PKM (0.56) TSHRHTTPOLBL3MBTL1SMN1; SMN2
SCHEMBL2508617 0.85 L3MBTL1 (0.53) TSHRHTTPOLBL3MBTL1SMN1; SMN2
SCHEMBL2329766 0.82 CYP3A4 (0.46) TSHRHTTSMN1; SMN2MAPK1CYP3A4
SCHEMBL28254881 0.81 TSHR (0.55) TSHRHTTPOLBL3MBTL1SMN1; SMN2
SCHEMBL2361303 0.78 ALOX5AP (0.42) TSHRHTTPKM
SCHEMBL2330321 0.77 ALOX5AP (0.43) TSHRHTTMAPK1CYP3A4CYP2C9
SCHEMBL31429867 0.76 GAA (0.61) TSHRHTTPOLBL3MBTL1SMN1; SMN2
SCHEMBL2512179 0.75 TGM2 (0.55) ALDH1A1PKMKDM4E
SCHEMBL14501504 0.75 GAA (0.56) TSHRHTTPOLBL3MBTL1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP disclosed
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 US disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 US disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
EP-2356110-A1 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2011-08-17 EP disclosed
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 WO disclosed
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 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 (1 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-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 TSHR 1802/4885HTT 919/4885POLB 3327/4885

“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.