SCHEMBL5117474

SCHEMBL5117474

O/N=C(\Cl)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 3/20 0.52
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
AKR1B1 P15121 1/20 0.46
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
XDH P47989 1/20 0.39
HIF1A Q16665 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL838027 1.00 CTBP2 (0.52) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL838026 1.00 CTBP2 (0.52) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL510577 0.82 ALDH1A1 (0.46) CTBP2TSHRMEN1KMT2AL3MBTL1
SCHEMBL509498 0.82 AGXT (0.44) CTBP2MGLL
SCHEMBL510576 0.82 ALDH1A1 (0.46) CTBP2TSHRMEN1KMT2AL3MBTL1
SCHEMBL509497 0.82 AGXT (0.44) CTBP2MGLL
SCHEMBL1106861 0.82 LTA4H (0.53) TSHREPHX2
SCHEMBL510285 0.82 LTA4H (0.53) TSHREPHX2
SCHEMBL1106894 0.82 SLC6A4 (0.46) CTBP2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL510335 0.82 FFAR1 (0.53) MEN1KMT2AMAPTALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP disclosed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-8193192-B2 Heterocyclic FXR binding compounds PHENEX PHARMACEUTICALS AG (DE) 2012-06-05 US disclosed
US-20100210660-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-08-19 US disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 US disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
US-5602160-A MUSCLE RELAXANT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1997-02-11 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed
US-5498619-A MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-03-12 US disclosed
EP-0414391-B1 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS (JP) 1995-03-15 EP disclosed
US-5338857-A Muscle relaxant MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1994-08-16 US disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 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 (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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 CTBP2 2583/4885CES1 3622/4885CES2 4739/4885
US-20100210660-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1I3, NR1I2 CTBP2 1065/4885CES1 928/4885CES2 3798/4885
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI CTBP2 3751/4885CES1 1706/4885CES2 2260/4885
US-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 CTBP2 1278/4885CES1 399/4885CES2 3083/4885

“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.