SCHEMBL1899541

SCHEMBL1899541

O=C(O)c1n[nH]c2cccc(Cc3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HAO1 Q9UJM8 2/20 0.45
HCAR2 Q8TDS4 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITK Q08881 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 2/20 0.40
YTHDC1 Q96MU7 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL904609 0.90 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7745040 0.85 KDM4E (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7492078 0.79 MAP2K4 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5023203 0.78 TBXA2R (0.45) CYP1A2CYP3A4CYP2D6CYP2C9HCAR2
SCHEMBL6854925 0.77 GAA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5315808 0.77 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL570533 0.76 HAO1 (0.50) HAO1HCAR2SMN1; SMN2CTNNB1WNT3A
Hydrochloric Acid SCHEMBL9444673 0.75 HAO1 (0.49) HAO1HCAR2SMN1; SMN2CTNNB1WNT3A
SCHEMBL1967918 0.74 GPR17 (0.43) HAO1CTNNB1WNT3AKDM4EYTHDC1
SCHEMBL28497966 0.74 PARP1 (0.45) CYP1A2CYP3A4HAO1ALDH1A1CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B CYP1A2 2320/4885CYP3A4 1542/4885CYP2D6 3055/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C CYP1A2 2317/4885CYP3A4 1590/4885CYP2D6 3045/4885

“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.