SCHEMBL7097558

SCHEMBL7097558

O=C(COc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
NPC1 O15118 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDR P35968 1/20 0.54
HPGD P15428 1/20 0.54
NOTUM Q6P988 1/20 0.54
ROCK2 O75116 1/20 0.54

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
SCHEMBL7098597 0.81 NOTUM (0.54) MAPK1NPC1MEN1KMT2AMAPT
SCHEMBL7097840 0.77 ALDH1A1 (0.65) MEN1KMT2AMAPTHPGDNOTUM
SCHEMBL7243115 0.76 KCNH2 (0.68) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL2554923 0.75 NOTUM (0.60) MAPK1NPC1MEN1KMT2AMAPT
SCHEMBL7097555 0.74 NOTUM (0.47) MAPK1NPC1MEN1KMT2AMAPT
SCHEMBL7514314 0.73 NR1H4 (0.75) NPC1MEN1KMT2ARAB9A
SCHEMBL5422559 0.72 HPGD (0.61) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6806801 0.72 MAPT (0.62) MAPK1NPC1MEN1KMT2AMAPT
SCHEMBL2947489 0.72 MEN1 (0.78) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL3054303 0.71 MAPK1 (0.56) MAPK1NPC1MEN1KMT2AMAPT

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 3 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

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 MAPK1 4140/4885NPC1 796/4885MEN1 4855/4885

“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.