SCHEMBL5934747

SCHEMBL5934747

CCCCc1ccc(-c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ NR1H4 Q96RI1 2/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL5934416 0.84 HDAC3 (0.57) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL5934518 0.84 PLK1 (0.55) TRPV1SMN1; SMN2NPC1RAB9APLK1
SCHEMBL5934188 0.83 HDAC3 (0.56) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL12136750 0.83 SMN1; SMN2 (0.56) TRPV1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL5934585 0.81 HDAC3 (0.55) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL5934657 0.80 HDAC8 (0.54) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL5934477 0.79 TRPV1 (0.56) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL5934381 0.79 HPGDS (0.55) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL5934592 0.79 HDAC3 (0.55) TRPV1HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL5934471 0.79 MEN1 (0.57) HDAC3HDAC8HDAC6SMN1; SMN2RAB9A

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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2006-05-11 — — 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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues HCAR2, AHR, HCAR3 TRPV1 53/4885HDAC3 424/4885HDAC8 740/4885

“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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