SCHEMBL5936642

SCHEMBL5936642

O=C(Nc1ccccc1Br)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ CACNA1H O95180 4/20 0.49
▸ CACNA1B Q00975 2/20 0.49
▸ HDAC1 Q13547 4/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ MCHR1 Q99705 2/20 0.45

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
SCHEMBL5936602 0.88 HDAC1 (0.48) MAPTTP53RXFP1SMN1; SMN2NPC1
SCHEMBL5936600 0.84 CACNA1H (0.70) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL1122672 0.79 PKM (0.63) MAPTHDAC1MEN1KMT2AHDAC6
SCHEMBL1123361 0.77 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1123437 0.75 PTPN1 (0.67) RAB9A
SCHEMBL5936665 0.74 CACNA1H (0.56) MAPTSMN1; SMN2CACNA1HCACNA1BHDAC1
SCHEMBL21798722 0.74 NPC1 (0.64) TP53NPC1RAB9AHDAC1LMNA
SCHEMBL29894079 0.74 NPC1 (0.64) TP53NPC1RAB9AHDAC1LMNA
SCHEMBL6351462 0.73 AKR1C2 (0.58) MAPTTP53RXFP1SMN1; SMN2NPC1
SCHEMBL29937768 0.73 PSMB1 (0.60) HDAC1ALDH1A1MCHR1HTT

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 MAPT 4365/4885TP53 1778/4885RXFP1 901/4885

“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.

Send feedback