SCHEMBL4892104

SCHEMBL4892104

c1cc(Nc2ccc(-c3cccs3)cn2)nc(-c2cnccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
MAPT P10636 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
XBP1 P17861 1/20 0.40
AHR P35869 1/20 0.40
HTT P42858 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
SCHEMBL4902879 0.83 KARS1 (0.52) CYP3A4CYP2A6NPC1SMN1; SMN2RAB9A
SCHEMBL4899168 0.83 KARS1 (0.43) NPC1SMN1; SMN2RAB9ALMNATP53
SCHEMBL4905119 0.82 CTSC (0.48) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4899201 0.82 MAPT (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL3147046 0.81 SMN1; SMN2 (0.45) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL3137507 0.80 SMN1; SMN2 (0.44) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4900004 0.79 KARS1 (0.43) KARS1
SCHEMBL4902892 0.78 KARS1 (0.40) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4900205 0.77 NPC1 (0.40) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4901584 0.77 SLC2A1 (0.48) MAPTNPC1SMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 CYP2E1 3339/4885CYP3A4 1652/4885CYP2A6 3061/4885

“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.