SCHEMBL6540607

SCHEMBL6540607

O=C(O)NCCc1ccc(Sc2ccc(O)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
F13A1 P00488 1/20 0.43
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
ESRRB O95718 2/20 0.36
ESRRG P62508 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1437502 0.76 KDM4E (0.69) KDM4EF13A1GAANPC1RAB9A
SCHEMBL6540434 0.75 HTR2A (0.52) KDM4EF13A1CYP11B1CYP11B2PLAAT3
SCHEMBL4440918 0.71 NPC1 (0.58) KDM4EGAANPC1RAB9AMAPT
SCHEMBL6541375 0.71 KMT2A (0.46) GAANPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL2846480 0.68 HPGDS (0.52) NPC1RAB9AMAPTSMN1; SMN2CYP11B1
SCHEMBL8819919 0.67 TRPV1 (0.58) KDM4EF13A1GAANPC1RAB9A
SCHEMBL4475970 0.67 KDM4E (0.51) KDM4EF13A1GAANPC1RAB9A
SCHEMBL6552652 0.66 ESR1 (0.35) CYP2D6CYP2C19CYP11B1CYP11B2
SCHEMBL21963810 0.66 MTNR1A (0.54) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL4352379 0.66 TRPV1 (0.65) KDM4EF13A1PLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 KDM4E 2107/4885F13A1 3133/4885GAA 3888/4885

“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.