SCHEMBL1624307

SCHEMBL1624307

Cc1ccc2c(N3CCC(NC(=O)O)C3CC3CCCCO3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
HCRTR1 O43613 2/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.38
SMAD3 P84022 1/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CHEK2 O96017 2/20 0.37
HIF1A Q16665 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 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
SCHEMBL1622775 0.88 MAPT (0.45) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1621664 0.84 MAPT (0.42) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL1624356 0.84 MAPT (0.42) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1622402 0.82 CHEK2 (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1623244 0.81 SMAD3 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5506146 0.81 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1621931 0.80 CHRNB2 (0.42) MAPTALDH1A1L3MBTL1NPSR1TSHR
SCHEMBL184191 0.79 KMT2A (0.42) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1623234 0.79 CHEK2 (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1624502 0.79 CHEK2 (0.35) MAPTALDH1A1KMT2AMEN1LMNA

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
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MAPT 2508/4885ALDH1A1 2907/4885KMT2A 2404/4885

“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.