SCHEMBL379431

SCHEMBL379431

O=C(c1ccccc1)N(c1ccccc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OPRD1 P41143 7/20 0.45
OPRM1 P35372 3/20 0.42
POLB P06746 2/20 0.40
OPRK1 P41145 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR6 P50406 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL4299855 0.90 SIGMAR1 (0.42) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL8325473 0.84 FFAR1 (0.44) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL5717885 0.82 SIGMAR1 (0.45) SIGMAR1ALDH1A1USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL5849112 0.81 SIGMAR1 (0.44) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL4299853 0.80 SIGMAR1 (0.38) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL6404717 0.79 BACE1 (0.47) SIGMAR1ALDH1A1TSHRHSD17B10OPRD1
SCHEMBL15273036 0.78 SIGMAR1 (0.41) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL17295878 0.78 OPRD1 (0.43) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL8715002 0.77 SIGMAR1 (0.51) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL28770204 0.76 SIGMAR1 (0.50) SIGMAR1ALDH1A1USP2TSHRHSD17B10

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 US disclosed
EP-1885710-B1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-08-19 EP disclosed
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-07-16 US disclosed
US-9078896-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-14 US disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 US disclosed
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-05-15 US disclosed
EP-2723338-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF The Trustees of Stevens Institute of Technology (US) 2014-04-30 EP disclosed
EP-1981875-B1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
WO-2007082880-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
WO-2007082878-A1 AMINOPHENYL DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN-CILAG (BE) 2007-06-14 US disclosed
EP-1781639-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2007048767-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
EP-1776358-A2 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP disclosed
WO-2006136553-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
WO-2006122926-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-23 WO disclosed
WO-2006010749-A2 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-02 WO disclosed
WO-2006010750-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-02 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 (5 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-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase HDAC1, HDAC11, HDAC3 SIGMAR1 3352/4885ALDH1A1 318/4885USP2 2441/4885
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 SIGMAR1 2226/4885ALDH1A1 636/4885USP2 1460/4885
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 SIGMAR1 2413/4885ALDH1A1 399/4885USP2 815/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 SIGMAR1 2530/4885ALDH1A1 641/4885USP2 1162/4885
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF HDAC6, HDAC5, HDAC1 SIGMAR1 4153/4885ALDH1A1 1381/4885USP2 2054/4885

“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.