SCHEMBL17670496

SCHEMBL17670496

Cc1cc(C(=O)O)cc(CNCc2nccn2CCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM5B Q9UGL1 3/20 0.39
▸ KDM4A O75164 2/20 0.39
▸ KDM4B O94953 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ VCP P55072 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL19522722 0.91 KDM4C (0.42) KDM4CHDAC1HSP90AA1HSP90AB1HSP90B1
SCHEMBL17670498 0.90 HSP90B1 (0.40) ALDH1A1HSP90B1MEN1KMT2A
SCHEMBL17683749 0.88 YTHDC1 (0.34) KDM4CHSP90AA1HSP90AB1HSP90B1KMT2A
SCHEMBL17544777 0.88 HSP90AA1 (0.36) KDM5BKDM4AKDM4BKDM5CVCP
SCHEMBL17670343 0.86 L3MBTL1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL17670467 0.84 ADORA2A (0.34) ALDH1A1LMNARAB9ASMN1; SMN2KDM5B
SCHEMBL17670434 0.83 KLKB1 (0.39) LMNAKDM5BKDM4AKDM4BKDM5C
SCHEMBL17549907 0.81 BRD4 (0.34) LMNARAB9ASMN1; SMN2KDM5BKDM4A
SCHEMBL17670471 0.81 P2RY14 (0.38) NPC1RAB9ASMN1; SMN2VCPHSP90AA1
SCHEMBL17549883 0.81 HSP90AA1 (0.44) LMNARAB9AKDM5BKDM4AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 ALDH1A1 802/4885NPC1 3942/4885LMNA 1590/4885

“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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