SCHEMBL662664

SCHEMBL662664

C[CH]c1cc(CC)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
RIOK2 Q9BVS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.32
LOX P28300 2/20 0.32
MAP3K14 Q99558 1/20 0.32
RECQL P46063 1/20 0.31
LOXL3 P58215 1/20 0.31
TP53 P04637 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
SCHEMBL22007014 0.84 NOS2 (0.50) NOS3NOS1NOS2TRPA1KDM4E
SCHEMBL8830210 0.84 NOS2 (0.37) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL20621291 0.82 NOS3 (0.52) NOS3NOS1NOS2TRPA1KDM4E
SCHEMBL1972140 0.82 NOS3 (0.52) NOS3NOS1NOS2TRPA1KDM4E
SCHEMBL6642166 0.82 NOS3 (0.52) NOS3NOS1NOS2TRPA1KDM4E
SCHEMBL9000442 0.77 NOS3 (0.47) NOS3NOS1NOS2TRPA1KDM4E
SCHEMBL9756832 0.73 PTGS2 (0.44) NOS3NOS1NOS2KDM4ESMYD3
SCHEMBL9756830 0.73 PTGS2 (0.44) NOS3NOS1NOS2KDM4ESMYD3
SCHEMBL31279599 0.73 NOS3 (0.61) NOS3NOS1NOS2TRPA1KDM4E
SCHEMBL218290 0.73 NOS3 (0.61) NOS3NOS1NOS2TRPA1KDM4E

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 NOS3 1223/4885NOS1 1765/4885NOS2 939/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD NOS3 1654/4885NOS1 1760/4885NOS2 2368/4885

“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.