SCHEMBL20031964

SCHEMBL20031964

NCCCNC(=O)c1ccc(CN)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ MCHR1 Q99705 1/20 0.57
▸ CYP1A2 P05177 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ SPHK2 Q9NRA0 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ GRIN1 Q05586 1/20 0.48

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
SCHEMBL22488360 0.95 HDAC3 (0.58) HDAC3HDAC6NCOR2MCHR1CYP1A2
SCHEMBL8234410 0.91 HDAC3 (0.61) HDAC3HDAC6NCOR2MCHR1CYP1A2
SCHEMBL14159023 0.91 CYP1A2 (0.63) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL23254636 0.89 CYP1A2 (0.68) HDAC3HDAC6NCOR2MCHR1CYP1A2
SCHEMBL8122188 0.86 SMN1; SMN2 (0.63) HDAC3HDAC6NCOR2MCHR1TSHR
SCHEMBL18390386 0.86 HDAC3 (0.56) HDAC3HDAC6NCOR2MCHR1CYP1A2
SCHEMBL11981560 0.86 HDAC3 (0.57) HDAC3CYP1A2TSHRNFKB1MAOB
SCHEMBL3523157 0.85 MAPK1 (0.61) HDAC3HDAC6CYP1A2TSHRNFKB1
SCHEMBL28745524 0.85 MAPK1 (0.68) HDAC3HDAC6NCOR2MCHR1CYP1A2
SCHEMBL8269538 0.85 L3MBTL1 (0.67) HDAC3HDAC6NCOR2MCHR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094017-A1 OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE CONSTRUCT USING THE SAME, AND METHODS FOR PRODUCING THEM GIFU UNIVERSITY (JP) 2018-04-05 — — 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-20180094017-A1 OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE CONSTRUCT USING THE SAME, AND METHODS FOR PRODUCING THEM APOB, TTPA, AOX1 HDAC3 3827/4885HDAC6 2514/4885NCOR2 2148/4885

“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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