SCHEMBL9883545

SCHEMBL9883545

Cc1[nH]c2ccccc2c1CCNC1CCN(c2ncc(C(=O)NOC3CCCCO3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX3 P56373 1/20 0.40
DGAT2 Q96PD7 6/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KLK6 Q92876 1/20 0.37
PABPC1 P11940 1/20 0.36
ALOX15 P16050 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP12 P39900 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL9883620 0.91 HDAC1 (0.41) LMNASMN1; SMN2P2RX3DGAT2ATM
SCHEMBL8271869 0.87 HDAC6 (0.45) P2RX3DGAT2MAPTKLK6MMP3
SCHEMBL13304545 0.85 HDAC6 (0.38) LMNASMN1; SMN2P2RX3DGAT2MAPT
SCHEMBL9883465 0.85 P2RX3 (0.40) SMN1; SMN2P2RX3DGAT2HDAC1HDAC3
SCHEMBL9883646 0.84 HDAC6 (0.50) LMNASMN1; SMN2ATMMAPTPABPC1
SCHEMBL9883544 0.82 LMNA (0.50) LMNASMN1; SMN2ATMMAPTMAPK1
SCHEMBL9883514 0.81 LMNA (0.46) LMNASMN1; SMN2P2RX3MAPK1HDAC1
SCHEMBL9883543 0.81 SMN1; SMN2 (0.47) LMNASMN1; SMN2DGAT2ATMMAPT
SCHEMBL9883511 0.78 HDAC3 (0.56) LMNASMN1; SMN2P2RX3DGAT2HDAC1
SCHEMBL2972921 0.77 HDAC6 (0.42) P2RX3ATMMAPTMAPK1HDAC1

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
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
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 US disclosed
US-8524728-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-03 US disclosed
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE (BE) 2012-08-30 US disclosed
US-8193205-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US disclosed
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE 2011-06-09 US disclosed
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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 (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-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 LMNA 1409/4885SMN1; SMN2 4380/4885P2RX3 4281/4885
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 LMNA 1203/4885SMN1; SMN2 4105/4885P2RX3 4290/4885
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 LMNA 1409/4885SMN1; SMN2 4380/4885P2RX3 4281/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 LMNA 1409/4885SMN1; SMN2 4380/4885P2RX3 4281/4885
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 LMNA 1409/4885SMN1; SMN2 4380/4885P2RX3 4281/4885

“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.