SCHEMBL3077227

SCHEMBL3077227

CSc1nnc(-c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36

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
SCHEMBL3058653 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1NPSR1MAPTGAA
SCHEMBL1897557 0.86 RAB9A (0.52) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3077801 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1NPSR1MAPTGAA
SCHEMBL1900261 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1NPSR1MAPTGAA
SCHEMBL1901778 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1NPSR1MAPTGAA
SCHEMBL1902320 0.81 ALDH1A1 (0.55) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL1902152 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1NPSR1MAPTKMT2A
SCHEMBL7739182 0.75 ALDH1A1 (0.48) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL283629 0.70 ALDH1A1 (0.62) ALDH1A1MAPK1NPSR1MAPTGAA
SCHEMBL1544564 0.68 ALDH1A1 (0.70) ALDH1A1MAPTGAAKMT2AMEN1

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 5 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
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 ALDH1A1 1123/4885MAPK1 803/4885NPSR1 1816/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C ALDH1A1 1193/4885MAPK1 1070/4885NPSR1 1770/4885

“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.