SCHEMBL46306

SCHEMBL46306

Cc1ccc(C(=O)N2CCCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
HPGD P15428 7/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PDE10A Q9Y233 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
PTK2 Q05397 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
GRM5 P41594 1/20 0.48
CNR2 P34972 1/20 0.47
PARP1 P09874 1/20 0.46
DHODH Q02127 1/20 0.46
GNE Q9Y223 1/20 0.46

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
SCHEMBL30341672 1.00 TDP1 (0.65) TDP1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16546002 0.98 TDP1 (0.63) TDP1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16408483 0.98 TDP1 (0.63) TDP1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10329801 0.97 TDP1 (0.65) TDP1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20160906 0.87 TDP1 (0.66) TDP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7877444 0.85 SMN1; SMN2 (0.70) TDP1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL12286062 0.85 TDP1 (0.60) TDP1HPGDSMN1; SMN2PDE10AL3MBTL1
SCHEMBL15759182 0.84 L3MBTL3 (0.72) TDP1ALDH1A1L3MBTL1L3MBTL3
SCHEMBL20254519 0.83 TDP1 (0.61) TDP1SMN1; SMN2PDE10A
SCHEMBL15633356 0.81 L3MBTL1 (0.52) TDP1HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018075858-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS SAMUMED, LLC (US) 2018-04-26 WO disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 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 (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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 TDP1 641/4885HPGD 2172/4885NPC1 1268/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 TDP1 2437/4885HPGD 1459/4885NPC1 2263/4885

“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.