SCHEMBL1901778

SCHEMBL1901778

CCOC(=O)CSc1nnc(-c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GNRHR P30968 1/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7744777 0.96 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL1900261 0.88 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL1902320 0.85 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMAPTKDM4E
SCHEMBL1902152 0.84 ALDH1A1 (0.49) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL3077227 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL3058653 0.81 ALDH1A1 (0.42) ALDH1A1POLBMAPTMAPK1NPSR1
SCHEMBL1897557 0.81 RAB9A (0.52) ALDH1A1MAPTRAB9A
SCHEMBL7739182 0.79 ALDH1A1 (0.48) ALDH1A1LMNAPOLBMAPTGAA
SCHEMBL3077801 0.75 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL1901676 0.73 MEN1 (0.43) ALDH1A1MAPTMAPK1NPSR1GAA

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
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-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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B ALDH1A1 1123/4885LMNA 2371/4885POLB 3455/4885

“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.