SCHEMBL8004823

SCHEMBL8004823

CSc1nnc2c(n1)[nH]c1ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 3/20 0.66
CNR2 P34972 6/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
LMNA P02545 4/20 0.62
HPGD P15428 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
PKM P14618 1/20 0.60
MAPT P10636 3/20 0.59
MAPK1 P28482 3/20 0.57
RXFP1 Q9HBX9 1/20 0.53
POLB P06746 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL12839874 0.83 CNR2 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL19933073 0.81 CNR2 (0.85) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL12767975 0.80 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL14092953 0.79 LMNA (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL14811842 0.79 CNR2 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL903237 0.78 MAPT (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL19933082 0.78 CNR2 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL19933072 0.78 KMT2A (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL29423882 0.78 KMT2A (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
SCHEMBL8732095 0.78 CNR2 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2

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-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 NPC1 487/4885RAB9A 1749/4885SMN1; SMN2 524/4885

“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.