SCHEMBL7103485

SCHEMBL7103485

O=C(CCCCc1ccccc1)Nc1cccc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
PLA2G10 O15496 1/20 0.50
PHGDH O43175 1/20 0.50
F2 P00734 1/20 0.50
CA2 P00918 1/20 0.50
PLA2G1B P04054 1/20 0.50
ARG1 P05089 1/20 0.50
LCK P06239 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM1 P11229 1/20 0.50
ACE P12821 1/20 0.50
PLA2G2A P14555 1/20 0.50
GABRA1 P14867 1/20 0.50
IDO1 P14902 1/20 0.50
MAOA P21397 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
SCHEMBL7099041 0.99 MAPT (0.54) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL7104019 0.92 HDAC3 (0.59) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL6841073 0.89 HDAC3 (0.48) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL14336770 0.88 MAPT (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL14336796 0.85 MAPT (0.52) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL14347199 0.84 MAPT (0.50) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL14336576 0.79 NPC1 (0.56) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL7516731 0.79 MAPT (0.47) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL7147082 0.75 SMN1; SMN2 (0.64) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL7517209 0.74 MAPT (0.54) MAPTNPC1ALDH1A1MEN1KMT2A

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 6 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-7312181-B2 Acylated thiosemicarbazides as herbicides CROPSOLUTION, INC. (US) 2007-12-25 US disclosed
US-7312181-B2 Acylated thiosemicarbazides as herbicides CROPSOLUTION, INC. (US) 2007-12-25 US disclosed
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 MAPT 1168/4885NPC1 796/4885ALDH1A1 1905/4885

“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.