SCHEMBL6841756

SCHEMBL6841756

S=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Nc2ccc(Cl)cc2)c(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL6841445 0.86 MAOB (0.47) MAOBIDO1ALDH1A1HTTNPC1
SCHEMBL6841201 0.84 ALDH1A1 (0.55) MAOBALDH1A1HTTNPC1RAB9A
SCHEMBL6944649 0.82 MAOB (0.48) MAOBIDO1ALDH1A1HTTNPC1
SCHEMBL15484146 0.76 IDO1 (0.75) MAOBIDO1ALDH1A1HTTMEN1
SCHEMBL7098462 0.75 MAOB (0.61) MAOBIDO1ALDH1A1HTTNPC1
SCHEMBL4341689 0.73 MAOB (0.54) MAOBIDO1ALDH1A1HTTNPC1
SCHEMBL6441154 0.73 ALDH1A1 (0.68) ALDH1A1HTTNPC1RAB9AMEN1
SCHEMBL6841444 0.73 MAOB (0.39) MAOBIDO1ALDH1A1HTTNPC1
SCHEMBL4351194 0.72 MAOB (0.53) MAOBIDO1ALDH1A1HTTNPC1
SCHEMBL6836479 0.72 MAOB (0.57) MAOBIDO1ALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US claimed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP claimed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US claimed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 WO claimed
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 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 (2 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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAOB 1073/4885IDO1 339/4885ALDH1A1 2070/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAOB 1073/4885IDO1 339/4885ALDH1A1 2070/4885

“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.