SCHEMBL17335935

SCHEMBL17335935

CC(C)C1CCC(n2c(=O)[nH]c3ccc(N)cc3c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ PARG Q86W56 1/20 0.48
▸ HTT P42858 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ OPRM1 P35372 6/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ POLB P06746 1/20 0.38

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
SCHEMBL17335962 1.00 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL17347732 0.83 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL17347731 0.83 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL17335927 0.83 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL17347730 0.83 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL18763280 0.83 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL17335925 0.83 CA12 (0.49) CA12CA9PARGHTTALDH1A1
SCHEMBL17335972 0.80 ERCC1 (0.58) CA12CA9PARGHTTALDH1A1
SCHEMBL17335973 0.80 ERCC1 (0.58) CA12CA9PARGHTTALDH1A1
SCHEMBL18792867 0.80 ERCC1 (0.58) CA12CA9PARGHTTALDH1A1

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 5 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
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 CA12 2487/4885CA9 2540/4885PARG 4791/4885

“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.

Send feedback