SCHEMBL533702

SCHEMBL533702

Fc1cnc(-c2cc[c]cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.40
HDAC3 O15379 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
HDAC1 Q13547 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 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
SCHEMBL534160 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL534059 0.77 NPC1 (0.46) HDAC4NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL12499609 0.77 HDAC4 (0.40) HDAC4HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL12498522 0.77 HDAC4 (0.43) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL10977162 0.76 NPC1 (0.65) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL4555084 0.75 NPC1 (0.38) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL3835184 0.74 NPC1 (0.44) NPC1
SCHEMBL2440707 0.74 KDM4E (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL533167 0.73 CLK4 (0.46) HDAC4NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7916999 0.73 NPC1 (0.32) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855267-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-01-02 US claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
US-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-02-16 US claimed
US-9505736-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-29 US claimed
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-07-23 US claimed
EP-2871955-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-05-20 EP claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
WO-2014014900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-01-23 WO claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
US-9855267-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-01-02 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-02-16 US disclosed
US-9505736-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-29 US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC3 5/4885HDAC7 2/4885
US-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC3 5/4885HDAC7 2/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 HDAC4 1584/4885HDAC3 1145/4885HDAC7 2100/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 HDAC4 2351/4885HDAC3 800/4885HDAC7 1637/4885
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC3 5/4885HDAC7 2/4885

“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.