SCHEMBL6841445

SCHEMBL6841445

CN(C)c1ccc(Nc2ccc(NC(=S)Nc3cc(Cl)cc(Cl)c3)cc2NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.43
IDO1 P14902 1/20 0.41

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
SCHEMBL6841756 0.86 MAOB (0.54) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL6841444 0.85 MAOB (0.39) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL6841201 0.78 ALDH1A1 (0.55) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL5451796 0.72 ALDH1A1 (0.70) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6815456 0.70 MAOB (0.51) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL6944649 0.70 MAOB (0.48) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL15484146 0.70 IDO1 (0.75) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL7691721 0.69 HDAC1 (0.43) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL7098462 0.69 MAOB (0.61) MAOBMAPTALDH1A1NPSR1MEN1
SCHEMBL6815450 0.67 ALDH1A1 (0.54) MAOBMAPTALDH1A1NPSR1MEN1

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
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US 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 1073/4885MAPT 1908/4885ALDH1A1 2070/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAOB 1073/4885MAPT 1908/4885ALDH1A1 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.