SCHEMBL8290247

SCHEMBL8290247

ClNCCc1nc2ccccc2n1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL8291369 0.85 ALDH1A1 (0.44) ALDH1A1RECQLPOLBGAATSHR
SCHEMBL10064150 0.82 ALDH1A1 (0.60) ALDH1A1RECQLPOLBGAATSHR
SCHEMBL30218661 0.75 POLB (0.54) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL19265679 0.67 ALDH1A1 (0.62) ALDH1A1RECQLPOLBGAATSHR
SCHEMBL66294 0.66 SMN1; SMN2 (0.63) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2885907 0.65 HTT (0.55) ALDH1A1POLBTSHRKMT2ALMNA
SCHEMBL21200181 0.64 NPC1 (0.73) ALDH1A1RECQLGAATSHRMEN1
SCHEMBL229324 0.62 MEN1 (0.78) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL28837689 0.62 RAB9A (0.65) POLBGAAMEN1KMT2ALMNA
SCHEMBL3373218 0.62 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ALMNAHTT

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-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 US disclosed
WO-2005042497-A2 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-05-12 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 (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-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNJ11, KCNJ1, KCNJ2 ALDH1A1 484/4885RECQL 680/4885POLB 4746/4885

“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.