SCHEMBL2404902

SCHEMBL2404902

OB(c1ccc(Cl)cc1F)c1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
ENPP2 Q13822 1/20 0.36
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
PPARG P37231 5/20 0.35
PPARA Q07869 5/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
KMO O15229 1/20 0.33
ERN1 O75460 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL385501 0.86 ENPP2 (0.41) KMT2ALMNAENPP2PPARGPPARA
SCHEMBL29643703 0.86 ENPP2 (0.41) KMT2ALMNAENPP2PPARGPPARA
SCHEMBL2405812 0.84 ENPP2 (0.37) KMT2ALMNAENPP2ORAI1ORAI2
SCHEMBL1138230 0.77 NPC1 (0.33) TSHRHSD17B10ALDH1A1CYP3A4TDP1
SCHEMBL2407958 0.76 ORAI1 (0.44) ORAI1ORAI2ORAI3TRPV6ALDH1A1
SCHEMBL246398 0.74 ENPP2 (0.42) KMT2ALMNAENPP2TSHRHSD17B10
SCHEMBL31208432 0.74 ENPP2 (0.42) KMT2ALMNAENPP2TSHRHSD17B10
SCHEMBL1138651 0.73 GAA (0.42) KMT2AENPP2ORAI1ORAI2ORAI3
SCHEMBL530450 0.72
SCHEMBL29443091 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
EP-1732527-A2 USE AND ADMINISTRATION OF BACTERIAL EFFLUX PUMP INHIBITORS MPEX PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
EP-1339725-B1 DNA METHYL TRANSFERASE INHIBITORS PENN STATE RES FOUND (US) 2006-11-22 EP disclosed
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
WO-2005089738-A2 USE AND ADMINISTRATION OF BACTERIAL EFFLUX PUMP INHIBITORS MPEX PHARMACEUTICALS, INC. (US) 2005-09-29 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 (2 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 KMT2A 1067/4885LMNA 3426/4885ENPP2 3251/4885
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT KMT2A 120/4885LMNA 3997/4885ENPP2 681/4885

“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.