SCHEMBL7517330

SCHEMBL7517330

CCCC(C(=O)Nc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.53
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
PLA2G10 O15496 1/20 0.51
PHGDH O43175 1/20 0.51
F2 P00734 1/20 0.51
CA2 P00918 1/20 0.51
PLA2G1B P04054 1/20 0.51
ARG1 P05089 1/20 0.51
LCK P06239 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM1 P11229 1/20 0.51
ACE P12821 1/20 0.51
PLA2G2A P14555 1/20 0.51
GABRA1 P14867 1/20 0.51
IDO1 P14902 1/20 0.51
MAOA P21397 1/20 0.51
CNR1 P21554 1/20 0.51
ACHE P22303 1/20 0.51
PTGS1 P23219 1/20 0.51

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
SCHEMBL7517209 0.92 MAPT (0.54) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL6841074 0.90 PLA2G10 (0.47) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL7514402 0.86 MAPT (0.52) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL6154935 0.79 GAA (0.67) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL7104019 0.73 HDAC3 (0.59) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL6155423 0.73 CA2 (0.56) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL6667399 0.70 MAPT (0.61) RAB9ANPC1PLA2G10PHGDHF2
SCHEMBL19277573 0.69 IDO1 (0.54) GUSBRAB9ANPC1PLA2G10PHGDH
SCHEMBL29413992 0.68 HSD17B10 (0.61) CA2SMN1; SMN2
SCHEMBL31734128 0.68 HSD17B10 (0.61) CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US 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 GUSB 1267/4885RAB9A 4666/4885NPC1 796/4885

“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.