SCHEMBL1476039

SCHEMBL1476039

CS(=O)(=O)c1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
DRD4 P21917 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.34
ACKR3 P25106 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL1476193 0.86 ALDH1A1 (0.46) L3MBTL1ABL1RIN1ALDH1A1LMNA
SCHEMBL1475323 0.85 SIGMAR1 (0.45) L3MBTL1ABL1RIN1ALDH1A1ACKR3
SCHEMBL1476152 0.84 SIGMAR1 (0.43) L3MBTL1ABL1RIN1ALDH1A1ACKR3
SCHEMBL1475069 0.84 SIGMAR1 (0.43) L3MBTL1ALDH1A1KDM4E
SCHEMBL12827515 0.84 L3MBTL1 (0.38) L3MBTL1ABL1RIN1ALDH1A1ACKR3
SCHEMBL1474298 0.84 SIGMAR1 (0.46) HTTALDH1A1ACKR3LMNAKDM4E
SCHEMBL1475428 0.84 ACKR3 (0.36) MAPK1L3MBTL1ABL1RIN1ALDH1A1
SCHEMBL1474233 0.83 MAPT (0.50) HTTALDH1A1LMNAKDM4E
SCHEMBL1476249 0.83 CD274 (0.40) L3MBTL1ABL1RIN1ALDH1A1LMNA
SCHEMBL1476187 0.83 SIGMAR1 (0.45) DRD4HTTALDH1A1ACKR3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 F10 790/4885DRD4 377/4885MAPK1 1840/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 F10 790/4885DRD4 377/4885MAPK1 1840/4885

“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.