SCHEMBL17335940

SCHEMBL17335940

Nc1ccc2[nH]c(=O)n(CCC3CCCCC3)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.55
▸ ACHE P22303 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ TSHR P16473 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
SCHEMBL17335984 0.85 HPGD (0.55) HPGDACHECA12ALDH1A1HSD17B10
SCHEMBL10084674 0.84 HPGD (0.53) HPGDACHECA12ALDH1A1HSD17B10
SCHEMBL17347729 0.81 HPGD (0.50) HPGDACHEALDH1A1HSD17B10NPSR1
SCHEMBL17335941 0.81 HPGD (0.50) HPGDACHEALDH1A1HSD17B10NPSR1
SCHEMBL17335950 0.80 ERCC1 (0.58) HPGDACHECA12CA9ALDH1A1
SCHEMBL17335961 0.80 HPGD (0.49) HPGDACHEALDH1A1HSD17B10NPSR1
SCHEMBL17347881 0.79 HPGD (0.44) HPGDACHEJAK2JAK1JAK3
SCHEMBL17347739 0.78 ERCC1 (0.59) HPGDACHECA12CA9ALDH1A1
SCHEMBL17335963 0.78 HPGD (0.47) HPGDACHECA12CA9ALDH1A1
SCHEMBL17347951 0.77 HPGD (0.49) HPGDACHE

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 HPGD 3131/4885ACHE 772/4885CA12 2487/4885

“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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