SCHEMBL7126368

SCHEMBL7126368

CCOc1cccc(C(=O)O)c1NC(=O)c1ccc2nc(C(C)c3nc4c([nH]3)CCN(C(=N)N(C)C)C4)n(C)c2c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
RAB9A P51151 1/20 0.31
F10 P00742 1/20 0.31
HCRTR1 O43613 1/20 0.30
AHR P35869 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7126377 0.90 NR1H4 (0.33) NR1H4SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7068659 0.79 NPC1 (0.36) NR1H4SMN1; SMN2NPC1RAB9AF10
SCHEMBL7068306 0.78 ACSS2 (0.35) POLBMAPT
SCHEMBL7071905 0.76 TPSAB1 (0.33) NR1H4SMN1; SMN2HTTPOLBMEN1
SCHEMBL7071928 0.76 NPC1 (0.34) NR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL7071924 0.76 NPC1 (0.34) NR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL7073159 0.76 TP53 (0.36) MAPT
SCHEMBL7068673 0.74 ACSS2 (0.38) NPC1RAB9AMAPT
SCHEMBL7068661 0.73 NPC1 (0.33) NR1H4SMN1; SMN2HTTPOLBMEN1
SCHEMBL7068662 0.73 NPC1 (0.33) NR1H4SMN1; SMN2HTTPOLBMEN1

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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NR1H4 902/4885SMN1; SMN2 3509/4885HTT 3694/4885

“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.