SCHEMBL3087652

SCHEMBL3087652

CN1CCN(S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTR6 P50406 6/20 0.56
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL15914906 0.86 ALDH1A1 (0.52) POLBALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL6035739 0.84 LMNA (0.51) POLBALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL15917236 0.84 TSHR (0.71) POLBALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL29973515 0.84 TSHR (0.66) POLBALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL17367677 0.83 KDM4E (0.62) ALDH1A1KDM4EHTR6KMT2ACYP3A4
SCHEMBL15916754 0.82 TSHR (0.75) POLBALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL15916530 0.82 TSHR (0.75) POLBALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL15915440 0.81 TSHR (0.49) POLBALDH1A1KDM4EHTR6TSHR
SCHEMBL2960619 0.81 MEN1 (0.62) POLBALDH1A1LMNAKMT2AMAPT
SCHEMBL15916798 0.81 GPR183 (0.57) POLBALDH1A1KDM4EHTR6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
CN-101743229-A quinazolinamide derivatives MERCK PATENT GMBH 2010-06-16 CN disclosed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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 (2 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P POLB 3667/4885ALDH1A1 1776/4885KDM4E 3277/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL POLB 2675/4885ALDH1A1 2625/4885KDM4E 1319/4885

“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.