SCHEMBL17335873

SCHEMBL17335873

CCNc1ccc2c(c1)c(=O)n(CCC1CCCCC1)c(=O)n2CC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 10/20 0.47
▸ RORC P51449 4/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL18763307 0.86 RORC (0.47) PARGRORCKMT2AHPGDMAPT
SCHEMBL17335989 0.77 PARG (0.41) PARGRORCTSHRKMT2AHPGD
SCHEMBL17335990 0.77 SMN1; SMN2 (0.50) PARGTSHRKMT2AHPGDMAPT
SCHEMBL14927474 0.76 RORA (0.45) PARGRORCTSHRKMT2ARORA
SCHEMBL10084682 0.74 PARG (0.44) PARGRORCTSHRHPGDRORA
SCHEMBL19322789 0.72 RORC (0.56) PARGRORCHPGDMAPT
SCHEMBL19669660 0.71 PARG (0.51) PARGRORCTSHRKMT2AMAPT
SCHEMBL17347875 0.69 ALDH1A1 (0.42) PARGTSHRKMT2AHPGDTAS2R14
SCHEMBL17434571 0.65 KDM4E (0.55) PARGRORCTSHRKMT2AHPGD
SCHEMBL12963549 0.64 ALDH1A1 (0.51) PARGTSHRKMT2AMAPT

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
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 — — WO disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 — — WO 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-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 PARG 4791/4885RORC 232/4885TSHR 238/4885

“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.

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