SCHEMBL13742575

SCHEMBL13742575

c1ccc2cc(CSc3nc4ccccc4[nH]3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.70
CYP2E1 P05181 2/20 0.70
CYP2C8 P10632 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2B6 P20813 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 7/20 0.68
LMNA P02545 6/20 0.68
HTT P42858 3/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NFKB1 P19838 2/20 0.67
NFKB2 Q00653 2/20 0.67
RELA Q04206 2/20 0.67
TP53 P04637 3/20 0.66
MAPT P10636 3/20 0.61

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
SCHEMBL15693646 0.88 CYP2E1 (0.70) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL15693613 0.85 CYP2D6 (0.63) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL15693629 0.85 RAB9A (0.64) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL15693639 0.85 CYP2E1 (0.60) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL15693645 0.83 CYP2E1 (0.68) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL15693631 0.83 CYP2E1 (0.82) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL8631022 0.83 RAB9A (0.67) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL12604482 0.83 RAB9A (0.67) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL31325504 0.83 RAB9A (1.00) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2949736 0.83 RAB9A (1.00) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9

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-8710082-B2 Benzimidazole inhibition of biofilm formation BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-04-29 US disclosed
US-8710082-B2 Benzimidazole inhibition of biofilm formation BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-04-29 US disclosed
US-8710082-B2 Benzimidazole inhibition of biofilm formation BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-04-29 US disclosed
US-20090197910-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-08-06 US disclosed
US-20090197910-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-08-06 US disclosed
WO-2007128086-A2 NOVEL VIRAL REPLICATION INHIBITOR KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-11-15 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-20090197910-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 CYP1A2 2610/4885CYP2E1 1287/4885CYP2C8 1014/4885

“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.