SCHEMBL2406071

SCHEMBL2406071

Cc1ccc(B(OCCN2CCCCC2)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL2408399 0.93 NPC1 (0.41) SMN1; SMN2HTTTDP1SIGMAR1ALDH1A1
SCHEMBL12319348 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HTTALDH1A1KMT2AKDM4E
SCHEMBL2404213 0.86 SIGMAR1 (0.42) SIGMAR1ALDH1A1KMT2AKDM4E
SCHEMBL12266379 0.81 SMN1; SMN2 (0.50) SMN1; SMN2TDP1KMT2AKDM4E
SCHEMBL13476066 0.76 HPGD (0.49) SMN1; SMN2TSHRTDP1ALDH1A1KMT2A
SCHEMBL12271077 0.75 MEN1 (0.48) SMN1; SMN2TSHRTDP1ALDH1A1KMT2A
SCHEMBL2408889 0.75 HPGD (0.51) SMN1; SMN2TSHRTDP1ALDH1A1KMT2A
SCHEMBL14503440 0.74 SIGMAR1 (0.43) SMN1; SMN2TSHRHTTTDP1SIGMAR1
SCHEMBL2406443 0.74 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL12270645 0.74 CHRNB2 (0.43) —

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 8 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-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 SMN1; SMN2 4119/4885TSHR 2155/4885HTT 3376/4885

“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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