SCHEMBL1899459

SCHEMBL1899459

Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 9/20 1.00
MAPT P10636 6/20 0.80
GAA P10253 5/20 0.80
MAPK1 P28482 4/20 0.80
ALDH1A1 P00352 4/20 0.80
AGTR1 P30556 1/20 0.80
HTR1E P28566 1/20 0.74
S1PR3 Q99500 1/20 0.74
GRN P28799 1/20 0.67
SORT1 Q99523 1/20 0.67
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KCNH2 Q12809 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RECQL P46063 1/20 0.61
CNR1 P21554 1/20 0.57

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
SCHEMBL7746883 0.97 NPSR1 (0.94) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL1898164 0.94 NPSR1 (0.89) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL1898740 0.92 NPSR1 (0.85) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL1899685 0.92 NPSR1 (0.85) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL1900718 0.92 NPSR1 (0.85) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL7744354 0.91 NPSR1 (0.83) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL143851 0.90 NPSR1 (0.81) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL147989 0.89 NPSR1 (0.80) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL1900676 0.89 NPSR1 (0.80) NPSR1MAPTGAAMAPK1ALDH1A1
SCHEMBL7744321 0.88 NPSR1 (0.78) NPSR1MAPTGAAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
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

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 NPSR1 1816/4885MAPT 1326/4885GAA 2823/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C NPSR1 1770/4885MAPT 1289/4885GAA 2630/4885

“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.