SCHEMBL7149230

SCHEMBL7149230

S=C(Nc1cccc2ccccc12)NC1CCCCC1NC(=S)Nc1cccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.76
KMT2A Q03164 5/20 0.76
MEN1 O00255 3/20 0.76
ALDH1A1 P00352 2/20 0.76
RAB9A P51151 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
EPHX1 P07099 1/20 0.56
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.50

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
SCHEMBL1275812 0.80 KMT2A (0.72) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL28931492 0.77 NPC1 (0.67) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL26932853 0.77 KDM4E (0.66) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL28931488 0.76 NPC1 (0.66) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10393959 0.74 KMT2A (0.64) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL462367 0.74 GAA (0.66) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL13191740 0.73 EPHX1 (0.67) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16256687 0.73 EPHX1 (0.63) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5448135 0.73 LMNA (0.69) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL2751717 0.73 EPHX1 (0.97) KDM4EKMT2AMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH KDM4E 3068/4885KMT2A 4656/4885MEN1 4855/4885

“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.