SCHEMBL2408982

SCHEMBL2408982

c1ccc(B(OCN2CCCC2)c2ccc3sc4ccc(B(OCN5CCCC5)c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ CXCR1 P25024 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL2404759 0.84 LTA4H (0.30) —
SCHEMBL12271067 0.75 KDM4E (0.65) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL12270172 0.72 LTA4H (0.43) —
SCHEMBL12270342 0.70 KDM4E (0.56) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL2406507 0.64 TRPV6 (0.54) KDM4EALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL12266420 0.62 KDM4E (0.55) KDM4EALDH1A1ESR1SMN1; SMN2
SCHEMBL13383619 0.62 HRH1 (0.45) SLC6A3
SCHEMBL13383628 0.61 HRH3 (0.51) KDM4EMAPK1SMN1; SMN2
SCHEMBL12266409 0.61 HRH3 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL12271044 0.60 CYP1A2 (0.55) KDM4EMEN1TRPM2ALDH1A1CYP1A2

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 2 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-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.

Send feedback