SCHEMBL19501808

SCHEMBL19501808

O=C(Nc1ccccc1)Nc1ccccc1NC(=O)C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.73
▸ CETP P11597 1/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ GAA P10253 2/20 0.57
▸ EPHX1 P07099 3/20 0.56
▸ EPHX2 P34913 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ KCNK3 O14649 1/20 0.55
▸ KCNK9 Q9NPC2 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ GFER P55789 1/20 0.54

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
SCHEMBL19501631 0.89 HPGD (0.87) HPGDSMN1; SMN2GAAEPHX1EPHX2
SCHEMBL31401950 0.87 HPGD (0.83) HPGDSMN1; SMN2GAAEPHX1EPHX2
SCHEMBL12323604 0.87 CETP (0.77) HPGDCETPHDAC3HDAC1HDAC2
SCHEMBL28256535 0.87 CETP (0.77) HPGDCETPHDAC3HDAC1HDAC2
SCHEMBL28258088 0.87 CETP (0.77) HPGDCETPHDAC3HDAC1HDAC2
SCHEMBL8020697 0.86 HPGD (0.71) HPGDCETPHDAC3HDAC1HDAC2
SCHEMBL1300190 0.85 HPGD (1.00) HPGDGAAALDH1A1PTPN1KCNK3
SCHEMBL19703413 0.85 HPGD (1.00) HPGDGAAALDH1A1PTPN1KCNK3
SCHEMBL19501632 0.85 HPGD (0.79) HPGDSMN1; SMN2GAAEPHX1EPHX2
SCHEMBL4668488 0.84 HPGD (0.96) HPGDSMN1; SMN2GAARAB9AALDH1A1

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-10343438-B2 Heat-sensitive recording material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-07-09 — — US disclosed
US-20170297355-A1 Heat-Sensitive Recording Material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-19 — — 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 (2 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-20170297355-A1 Heat-Sensitive Recording Material SCN1A, SCN3A, KCNN3 HPGD 1145/4885CETP 4720/4885HDAC3 1748/4885
US-10343438-B2 Heat-sensitive recording material SCN1A, SCN3A, KCNN3 HPGD 1145/4885CETP 4720/4885HDAC3 1748/4885

“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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