SCHEMBL3757966

SCHEMBL3757966

CN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3\SC(=S)NC3=O)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.51
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ADAMTS5 Q9UNA0 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE3A Q14432 5/20 0.47
NAT1 P18440 1/20 0.47
PIK3CG P48736 4/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
DYRK1A Q13627 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MMP3 P08254 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
SCHEMBL12997325 1.00 CISD1 (0.51) CISD1MGAMGAASIMGAM2
SCHEMBL3757967 1.00 CISD1 (0.51) CISD1MGAMGAASIMGAM2
SCHEMBL3754090 0.93 HPGD (0.50) MGAMGAASIMGAM2
SCHEMBL3754087 0.93 HPGD (0.50) MGAMGAASIMGAM2
SCHEMBL12997337 0.90 CISD1 (0.50) CISD1MGAMGAASIMGAM2
SCHEMBL3761343 0.90 CISD1 (0.50) CISD1MGAMGAASIMGAM2
SCHEMBL3761342 0.90 CISD1 (0.50) CISD1MGAMGAASIMGAM2
SCHEMBL12997318 0.90 ADAMTS5 (0.47) CISD1MGAMGAASIMGAM2
SCHEMBL3756435 0.90 ADAMTS5 (0.47) CISD1MGAMGAASIMGAM2
SCHEMBL3756438 0.90 ADAMTS5 (0.47) CISD1MGAMGAASIMGAM2

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-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US claimed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 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-20100305174-A1 Novel Heterocyclic Derivatives UGT1A1, CYP3A4, CYP3A43 CISD1 2908/4885MGAM 1565/4885GAA 842/4885

“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.