SCHEMBL660572

SCHEMBL660572

C[CH]c1cccc(CC)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
KCNH2 Q12809 3/20 0.36
CXCR4 P61073 1/20 0.35
F2R P25116 4/20 0.34
HRH4 Q9H3N8 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SCN5A Q14524 1/20 0.31
HSD11B1 P28845 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7685865 0.83 F2R (0.37) PARP1KCNH2CXCR4F2RHRH4
SCHEMBL249047 0.81 CCR1 (0.40) PARP1KCNH2CXCR4F2RCHRNB2
SCHEMBL9069711 0.81 CHRNB2 (0.37) PARP1KCNH2CXCR4F2RHRH4
SCHEMBL45869 0.78 KCNH2 (0.52) PARP1KCNH2CXCR4HRH4GRIN2D
SCHEMBL9000689 0.78 ALDH1A1 (0.38) PARP1KCNH2CXCR4F2RNPSR1
SCHEMBL26140256 0.76 KDM4E (0.45) PARP1F2RHRH4GRIN2DGRIN3B
SCHEMBL25610250 0.76 HRH4 (0.32) PARP1KCNH2CXCR4F2RHRH4
SCHEMBL11564452 0.76 KCNH2 (0.50) PARP1KCNH2CXCR4HRH4CHRNB2
SCHEMBL20314433 0.75 NPC1 (0.57) F2RNPSR1
SCHEMBL20314432 0.75 GRM4 (0.61) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 US 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA PARP1 3579/4885KCNH2 507/4885CXCR4 1047/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD PARP1 4047/4885KCNH2 1897/4885CXCR4 2143/4885

“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.