SCHEMBL2406879

SCHEMBL2406879

NCCOB(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TRPM2 O94759 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TAAR1 Q96RJ0 2/20 0.32
PNMT P11086 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL13476022 0.94 KDM4E (0.49) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL2408157 0.86 MEN1 (0.50) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL2407394 0.84 KDM4E (0.55) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL14503447 0.81 KMT2A (0.49) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL14503483 0.81 IDO1 (0.45) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL2411606 0.81 LYPLA1 (0.47) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL13476066 0.78 HPGD (0.49) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL2408889 0.77 HPGD (0.51) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL12270807 0.77 SLC6A4 (0.32) KDM4ECYP1A2CYP3A4TSHRSLC6A4
SCHEMBL16151504 0.77 SLC6A3 (0.35) SLC6A4SLC6A3TAAR1PNMTPPARG

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 1022/4885MEN1 3255/4885TRPM2 4608/4885

“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.