SCHEMBL18763298

SCHEMBL18763298

CC(=O)Nc1cnc2[nH]c(=O)n(CCC3CCCCC3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ MTOR P42345 10/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ OPRK1 P41145 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
SCHEMBL17335950 0.82 ERCC1 (0.58) CTSSHPGDKDM4EKMT2AALDH1A1
SCHEMBL17347881 0.81 HPGD (0.44) MTORPIK3CAGSK3AHPGDJAK2
SCHEMBL17347739 0.81 ERCC1 (0.59) HPGDKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL17335954 0.78 ERCC1 (0.55) HPGDKDM4EMEN1RGS12KMT2A
SCHEMBL18792947 0.76 OPRM1 (0.37) MTORPIK3CAKDM4EMEN1RGS12
SCHEMBL18763312 0.76 OPRM1 (0.37) MTORPIK3CAKDM4EMEN1RGS12
SCHEMBL18792924 0.76 OPRM1 (0.37) MTORPIK3CAKDM4EMEN1RGS12
SCHEMBL18763311 0.76 OPRM1 (0.37) MTORPIK3CAKDM4EMEN1RGS12
SCHEMBL17347877 0.73 ERCC1 (0.36) MTORPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17347952 0.73 ERCC1 (0.36) MTORPIK3CAKDM4EALDH1A1SMN1; SMN2

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 2 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

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 CTSS 1151/4885MTOR 3552/4885PIK3CA 4120/4885

“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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