SCHEMBL10097698

SCHEMBL10097698

CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
DYRK1A Q13627 1/20 0.37
SGK1 O00141 1/20 0.37
PGR P06401 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
HTR3A P46098 1/20 0.36
ALOX5AP P20292 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL13152663 0.89 AR (0.54) ARNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13152382 0.89 AR (0.55) ARNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10096218 0.88 AS3MT (0.41) ARNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12950256 0.87 AR (0.52) ARNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13152145 0.87 SGK1 (0.41) DYRK1ASGK1PRMT6PDE5A
SCHEMBL12950260 0.85 PRMT6 (0.40) ARNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10249407 0.84 PRMT6 (0.42) DYRK1ASGK1PRMT6PDE5A
SCHEMBL13152254 0.84 SGK1 (0.39) ADORA2AADORA2BSGK1PRMT6
SCHEMBL10097694 0.82 MAOB (0.47) NPC1RAB9ASMN1; SMN2DYRK1AMEN1
SCHEMBL13152587 0.82 DYRK1A (0.41) NPC1DYRK1ASGK1PRMT6PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (2 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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS AR 3781/4885NPC1 87/4885RAB9A 2829/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AR 4702/4885NPC1 514/4885RAB9A 2969/4885

“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.