SCHEMBL534059

SCHEMBL534059

Clc1cnc(-c2cc[c]cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HDAC4 P56524 2/20 0.40
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
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HPGDS O60760 1/20 0.31

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
SCHEMBL27513000 0.78 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HSD17B10HDAC4
SCHEMBL12499609 0.77 HDAC4 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10HDAC4
SCHEMBL533702 0.77 HDAC4 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10HDAC4
SCHEMBL534160 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HSD17B10NFKB1
SCHEMBL13364715 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HSD17B10HDAC4
SCHEMBL2440707 0.74 KDM4E (0.42) NPC1RAB9ASMN1; SMN2HSD17B10NFKB1
SCHEMBL2156769 0.74 CNR2 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7916999 0.73 NPC1 (0.32) NPC1RAB9ASMN1; SMN2HSD17B10NFKB1
SCHEMBL533167 0.73 CLK4 (0.46) NPC1RAB9ASMN1; SMN2HDAC4NFKB1
SCHEMBL22130253 0.73 RAB9A (0.68) NPC1RAB9ASMN1; SMN2HSD17B10HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US 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
CN-102209710-A Pyrrolidines PFIZER LTD 2011-10-05 CN claimed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP claimed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
CN-102209710-A Pyrrolidines PFIZER LTD 2011-10-05 CN disclosed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 CN disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 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 (3 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 NPC1 1393/4885RAB9A 4026/4885SMN1; SMN2 3271/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NPC1 3585/4885RAB9A 2549/4885SMN1; SMN2 3764/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NPC1 3814/4885RAB9A 2112/4885SMN1; SMN2 4030/4885

“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.