SCHEMBL17335990

SCHEMBL17335990

CC(=O)Nc1ccc2c(c1)c(=O)n(CCC1CCCCC1)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NPC1 O15118 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PIK3CA P42336 2/20 0.45
▸ PRKDC P78527 2/20 0.45
▸ MTOR P42345 1/20 0.45
▸ CTSS P25774 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PARG Q86W56 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL17347875 0.81 ALDH1A1 (0.42) SMN1; SMN2NPC1ALDH1A1TSHRHPGD
SCHEMBL18763307 0.81 RORC (0.47) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL10084682 0.80 PARG (0.44) HSD17B10ALDH1A1TSHRPIK3CAPRKDC
SCHEMBL17335950 0.80 ERCC1 (0.58) SMN1; SMN2HSD17B10ALDH1A1CTSSKDM4E
SCHEMBL17347739 0.78 ERCC1 (0.59) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL17335873 0.77 PARG (0.47) TSHRHPGDPARGMAPTKMT2A
SCHEMBL17335954 0.75 ERCC1 (0.55) SMN1; SMN2HSD17B10NPC1ALDH1A1TSHR
SCHEMBL18763298 0.72 CTSS (0.44) SMN1; SMN2HSD17B10NPC1ALDH1A1TSHR
SCHEMBL27605926 0.72 PARG (0.52) SMN1; SMN2NPC1ALDH1A1TSHRNPSR1
SCHEMBL17347878 0.72 ERCC1 (0.59) HSD17B10ALDH1A1TSHRKDM4EHPGD

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 SMN1; SMN2 1471/4885HSD17B10 2915/4885TP53 4624/4885

“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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