SCHEMBL7103409

SCHEMBL7103409

S=C(Nc1cc(Cl)cc(Cl)c1)NC1CCCCC1NC(=S)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
IDO1 P14902 1/20 0.53
NPSR1 Q6W5P4 3/20 0.51
HTT P42858 3/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 1/20 0.48
GRM4 Q14833 3/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL9529835 0.85 MEN1 (0.73) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL9530719 0.85 MEN1 (0.73) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL7171469 0.79 MEN1 (0.60) KMT2AMEN1CYP2C19NPSR1MAPT
SCHEMBL7525877 0.79 MEN1 (0.76) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL9369571 0.79 CHRNA7 (0.50) KMT2AMEN1IDO1
SCHEMBL15484146 0.77 IDO1 (0.75) KMT2AMEN1IDO1NPSR1HTT
SCHEMBL17448378 0.76 LMNA (0.58) KMT2AMEN1IDO1NPSR1HTT
SCHEMBL7520490 0.76 LMNA (0.58) KMT2AMEN1IDO1NPSR1HTT
SCHEMBL31484379 0.76 LMNA (0.58) KMT2AMEN1IDO1NPSR1HTT
SCHEMBL28033892 0.75 SMN1; SMN2 (0.64) KMT2AMEN1CYP1A2CYP2C19CYP3A4

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 KMT2A 4656/4885MEN1 4855/4885CYP1A2 140/4885

“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.