SCHEMBL3128117

SCHEMBL3128117

[S]CCCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.66
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HRH1 P35367 2/20 0.61
CHRNA7 P36544 2/20 0.59
TBXAS1 P24557 7/20 0.56
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 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
SCHEMBL273005 0.87
SCHEMBL724788 0.87 TDP1 (0.80) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL29485675 0.87 TDP1 (0.80) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL2843094 0.87 CYP2A6 (0.76) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL29485677 0.87 CYP2A6 (0.76) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL29485667 0.85 HRH1 (0.81) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL29485634 0.85 HRH1 (0.81) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL8658187 0.85 HRH1 (0.81) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL2845851 0.85 HRH1 (0.81) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL3048356 0.85 HRH1 (0.81) CYP2A6TDP1L3MBTL1HRH1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141148-B1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 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 (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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 CYP2A6 839/4885TDP1 3222/4885L3MBTL1 4750/4885

“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.