SCHEMBL3633684

SCHEMBL3633684

COC(=O)c1c(CC=CBr)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE10A Q9Y233 2/20 0.47
TSHR P16473 1/20 0.47
TACR3 P29371 8/20 0.46
DHODH Q02127 3/20 0.45
LMNA P02545 3/20 0.45
TACR2 P21452 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 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
SCHEMBL27729454 0.84 LMNA (0.53) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL2372595 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL14115125 0.81 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL4666988 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL8268500 0.77 TACR3 (0.52) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL4230222 0.77 DHODH (0.70) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL2372674 0.77 PDE10A (0.73) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL13502549 0.75 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL27745159 0.75 TACR3 (0.60) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL4668037 0.74 TACR3 (0.53) SMN1; SMN2MEN1KMT2ATACR3DHODH

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US claimed
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP claimed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-7608628-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-10-27 US disclosed
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP disclosed
US-20080021062-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-01-24 US disclosed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 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 (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-20080021062-A1 Alkylsulphonamide Quinolines RECQL, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 2001/4885MEN1 1083/4885KMT2A 608/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR SMN1; SMN2 2314/4885MEN1 858/4885KMT2A 966/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR SMN1; SMN2 2314/4885MEN1 858/4885KMT2A 966/4885

“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.