SCHEMBL17347729

SCHEMBL17347729

O=c1[nH]c2ccc(-c3ccncc3)cc2c(=O)n1CCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ ACHE P22303 2/20 0.46
▸ METAP2 P50579 2/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17335961 0.88 HPGD (0.49) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17347951 0.88 HPGD (0.49) HPGDACHEMETAP2
SCHEMBL17335984 0.81 HPGD (0.55) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17335940 0.81 HPGD (0.55) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17335942 0.80 BRD4 (0.58) HPGD
SCHEMBL10084674 0.79 HPGD (0.53) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17335941 0.76 HPGD (0.50) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17335950 0.75 ERCC1 (0.58) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17347739 0.74 ERCC1 (0.59) HPGDACHEALDH1A1NPSR1HSD17B10
SCHEMBL17335963 0.74 HPGD (0.47) HPGDACHEALDH1A1NPSR1HSD17B10

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
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

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 772/4885METAP2 4135/4885

“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