SCHEMBL5936602

SCHEMBL5936602

O=C(Nc1ccccc1Br)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ SMPD1 P17405 1/20 0.48
▸ AKR1C2 P52895 2/20 0.48
▸ AKR1C1 Q04828 2/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR1H4 Q96RI1 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ABCB1 P08183 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
SCHEMBL5936642 0.88 MAPT (0.52) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL5936665 0.86 CACNA1H (0.56) HDAC1HDAC8HDAC6SMN1; SMN2NR1H4
SCHEMBL5720732 0.80 NR4A2 (0.62) NR1H4KMT2A
SCHEMBL4505904 0.77 NR4A2 (0.61) NR1H4KMT2A
SCHEMBL1123192 0.76 GPR132 (0.63) SMPD1
SCHEMBL1123228 0.76 GPR132 (0.60) —
SCHEMBL5936600 0.75 CACNA1H (0.70) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1123247 0.74 SLC2A1 (0.47) HDAC1HDAC8HDAC6SMPD1KMT2A
SCHEMBL1123248 0.73 CA12 (0.48) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL1123431 0.73 GPR132 (0.61) —

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-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 — — 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG HDAC1 215/4885HDAC8 229/4885HDAC6 752/4885

“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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