SCHEMBL91386

SCHEMBL91386

CCc1csc(-c2cccs2)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.62
RAB9A P51151 8/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
CASP3 P42574 1/20 0.58
KMT2A Q03164 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 7/20 0.57
PKM P14618 1/20 0.54
SLC6A3 Q01959 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL12923050 0.86 KDM4E (0.59) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL1486860 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL203020 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL2756169 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL759745 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL3076290 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL12895701 0.81 KDM4E (0.55) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL17809500 0.81 KDM4E (0.55) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL20322400 0.81 KDM4E (0.66) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL17232429 0.78 RAB9A (0.65) KDM4ERAB9ALMNAMAPTMEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756667-B1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE UNIV OSLO (NO) 2023-01-25 EP disclosed
US-20160158271-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE UNIVERSITETET I OSLO (NO) 2016-06-09 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
EP-1836149-B1 PHENYLBENZOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2011-04-06 EP disclosed
US-7863328-B2 Phenylbenzoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2011-01-04 US disclosed
US-7863328-B2 Phenylbenzoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2011-01-04 US disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
WO-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-06-12 US disclosed
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-06-12 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 (6 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-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives MYLK2, MYLK, MYLK3 KDM4E 2728/4885RAB9A 1259/4885LMNA 1555/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KDM4E 760/4885RAB9A 3465/4885LMNA 2321/4885
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof APOB, PCSK9, TGFB1 KDM4E 872/4885RAB9A 2300/4885LMNA 410/4885
US-20160158271-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE ADAMTS5, ADAMTS4, ADAMTS1 KDM4E 440/4885RAB9A 4197/4885LMNA 2039/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 KDM4E 2696/4885RAB9A 965/4885LMNA 1716/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 KDM4E 592/4885RAB9A 2715/4885LMNA 1009/4885

“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.