SCHEMBL3380554

SCHEMBL3380554

COC(=O)Nc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.58
▸ HDAC3 O15379 12/20 0.58
▸ HDAC2 Q92769 12/20 0.58
▸ HDAC10 Q969S8 7/20 0.58
▸ HDAC6 Q9UBN7 7/20 0.58
▸ HDAC4 P56524 6/20 0.58
▸ HDAC7 Q8WUI4 6/20 0.58
▸ HDAC11 Q96DB2 6/20 0.58
▸ HDAC8 Q9BY41 6/20 0.58
▸ HDAC9 Q9UKV0 6/20 0.58
▸ HDAC5 Q9UQL6 6/20 0.58
▸ MAPK1 P28482 1/20 0.56
▸ NCOR2 Q9Y618 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CFTR P13569 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL25066473 0.85 HDAC3 (0.45) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL11659356 0.85 HPGD (0.64) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL12703506 0.83 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL10905206 0.83 ALDH1A1 (0.78) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL29353000 0.82 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL211033 0.82 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL9178424 0.82 ALDH1A1 (0.62) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL513736 0.80 RAB9A (0.64) ALDH1A1HPGDNPC1RAB9A
SCHEMBL10424370 0.79 NPC1 (0.57) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL29904721 0.79 ALDH1A1 (0.61) HDAC1HDAC3HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 — — US disclosed
WO-2020026162-A1 PROCESS FOR THE MULTISTEP CONTINUOUS-FLOW PREPARATION OF FLIBANSERIN RICHTER GEDEON NYRT. (HU) 2020-02-06 — — WO disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 — — US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 — — WO disclosed
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 — — EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 — — US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 — — US disclosed
CN-1267501-C Light sensitivity resin precursor compsn. TORAY INDUSTRIES (JP) 2006-08-02 — — CN disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 — — EP disclosed
EP-0878740-B1 Radiation sensitive polymer composition TORAY INDUSTRIES (JP) 2004-11-10 — — EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 — — EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 — — US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 — — WO disclosed
US-6090525-A PHOTOSENSITIVE POLYIMIDE COATING AGENT COMPOSITION WITH BOTH GOOD VISCOSITY STABILITY AT ROOM TEMPERATURE WITH LAPSE OF TIME AND GOOD PHOTOSENSITIVE PERFORMANCE TORAY INDUSTRIES, INC. (JP) 2000-07-18 — — US disclosed
CN-1201061-A Chemical-ray sensitive polymer composition TORAY CO LTD (JP) 1998-12-09 — — CN disclosed
EP-0878740-A1 Radiation sensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1998-11-18 — — EP disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
US-4018814-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 — — US disclosed
US-4013676-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US disclosed
US-3996247-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 — — 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 (4 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-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 HDAC1 2057/4885HDAC3 1789/4885HDAC2 679/4885
US-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 HDAC1 2057/4885HDAC3 1789/4885HDAC2 679/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885

“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.

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