SCHEMBL7032239

SCHEMBL7032239

CCNC(=O)Nc1ccc(C(CCNCc2ccccc2)c2ccc(NC(=O)NCC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.59
EPHX1 P07099 1/20 0.54
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NAMPT P43490 1/20 0.49
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 1/20 0.47
SLC6A3 Q01959 1/20 0.46
MITF O75030 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL6321985 0.83 MEN1 (0.56) CASREPHX1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL7027322 0.82 MEN1 (0.55) CASREPHX1NPC1RAB9AMEN1
SCHEMBL7025407 0.79 MEN1 (0.65) CASRMAPTMEN1KMT2A
SCHEMBL11266342 0.75 EPHX1 (0.74) EPHX1MAPTNPC1RAB9AMEN1
SCHEMBL340246 0.75 EPHX1 (0.64) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL3641265 0.75 KCNH2 (0.69) MAPTMEN1KMT2ASLC6A3MITF
SCHEMBL7608267 0.74 MEN1 (0.68) MEN1KMT2AMITF
SCHEMBL4744610 0.74 NPC1 (0.69) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11650072 0.74 EPHX1 (0.66) EPHX1MAPTNPC1RAB9AMEN1
SCHEMBL2430084 0.74 CASR (1.00) CASRNPC1RAB9AMEN1KMT2A

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-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 CASR 1433/4885EPHX1 2387/4885MAPT 2548/4885

“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.