SCHEMBL7525877

SCHEMBL7525877

S=C(Nc1ccc(Cl)c(Cl)c1)NC1CCCCC1NC(=S)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.76
KMT2A Q03164 7/20 0.76
MAPT P10636 7/20 0.76
LMNA P02545 5/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
NPSR1 Q6W5P4 3/20 0.76
HTT P42858 2/20 0.76
ALOX12 P18054 1/20 0.76
IDO1 P14902 1/20 0.57
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 5/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL11845603 0.86 SMN1; SMN2 (1.00) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4555003 0.79 IDO1 (0.78) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14433850 0.79 SMN1; SMN2 (0.76) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7103409 0.79 KMT2A (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7098006 0.76 IDO1 (0.53) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28033892 0.75 SMN1; SMN2 (0.64) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4350019 0.75 SMN1; SMN2 (0.79) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10660750 0.73 IDO1 (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4555049 0.73 MEN1 (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL5988806 0.73 IDO1 (1.00) MEN1KMT2AMAPTLMNASMN1; 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 1 patent. 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 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 MEN1 4855/4885KMT2A 4656/4885MAPT 1168/4885

“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.