SCHEMBL7097582

SCHEMBL7097582

NC(=O)c1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
KDR P35968 2/20 0.47
HDAC1 Q13547 1/20 0.46
GSK3B P49841 2/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPK14 Q16539 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
OPRK1 P41145 2/20 0.43
CCR6 P51684 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL7097584 0.82 MECP2 (0.51) HDAC6KDRHDAC1GSK3BSMN1; SMN2
SCHEMBL5505615 0.80 KDM4E (0.48) HDAC6GSK3BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7148341 0.77 GUSB (0.55) HDAC6KDRHDAC1MAPK8MAPK10
SCHEMBL17377364 0.73 GSK3B (0.62) HDAC6KDRHDAC1GSK3BSMN1; SMN2
SCHEMBL27965837 0.73 ATR (0.67) HDAC6SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL29818040 0.72 GSK3B (0.66) HDAC6HDAC1GSK3BSMN1; SMN2NPC1
SCHEMBL13262010 0.70 FLT1 (0.46) KDRGSK3BSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29817947 0.68 GSK3B (0.59) HDAC6GSK3BSMN1; SMN2NPC1ALDH1A1
SCHEMBL3614613 0.68 KDM4E (0.54) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL30656648 0.68 KDM4E (0.74) SMN1; SMN2ALDH1A1HPGDLMNATDP1

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 HDAC6 782/4885KDR 3146/4885HDAC1 799/4885

“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.