SCHEMBL12271044

SCHEMBL12271044

c1ccc(B(OCCN2CCN(CCOB(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TRPM2 O94759 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.42
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ ORAI3 Q9BRQ5 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.41
▸ LTA4H P09960 2/20 0.41

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
SCHEMBL12266409 0.81 HRH3 (0.49) KDM4EALDH1A1SIGMAR1LTA4HDRD1
SCHEMBL13383628 0.81 HRH3 (0.51) MAPK1KDM4ESIGMAR1LTA4HDRD1
SCHEMBL12266420 0.78 KDM4E (0.55) KDM4EALDH1A1SIGMAR1LTA4HDRD1
SCHEMBL13383619 0.78 HRH1 (0.45) SIGMAR1LTA4HDRD1DRD4DRD5
SCHEMBL2408399 0.72 NPC1 (0.41) CYP1A2MAPK1KDM4EMEN1ALDH1A1
SCHEMBL341835 0.71 KDM4E (1.00) CYP1A2ALOX15TSHRMAPK1KDM4E
SCHEMBL7796540 0.71 MEN1 (0.63) CYP1A2ALOX15TSHRMAPK1KDM4E
SCHEMBL12319348 0.71 SMN1; SMN2 (0.38) MAPK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2412888 0.69 KDM4E (0.96) CYP1A2ALOX15TSHRMAPK1KDM4E
SCHEMBL7799309 0.68 TSHR (0.59) CYP1A2ALOX15TSHRMAPK1KDM4E

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-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-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
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

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 CYP1A2 3629/4885ALOX15 4506/4885TSHR 2155/4885

“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.

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