SCHEMBL5717595

SCHEMBL5717595

NC(=O)Cc1csc(NC(=O)CSc2ccccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ POLB P06746 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PDE5A O76074 1/20 0.53
▸ PDE1A P54750 1/20 0.53
▸ PDE1B Q01064 1/20 0.53
▸ PDE1C Q14123 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51

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
SCHEMBL5717607 0.90 KMT2A (0.56) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL5717639 0.84 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2POLBPDE5A
SCHEMBL5867802 0.77 CDK2 (0.51) SMN1; SMN2POLBTDP1PDE5APDE1A
SCHEMBL5717756 0.74 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2POLBPDE5A
SCHEMBL5717707 0.73 TSHR (0.71) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL5717620 0.72 KDM4E (0.74) SMN1; SMN2PDE5APDE1APDE1BPDE1C
SCHEMBL5717736 0.72 KMT2A (0.61) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL3431552 0.71 KMT2A (0.91) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL14207708 0.71 KMT2A (0.69) KMT2AMEN1PKMSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL27355889 0.70 KMT2A (0.59) KMT2AMEN1PKMSMN1; SMN2POLB

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KMT2A 2302/4885MEN1 2872/4885PKM 956/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KMT2A 2302/4885MEN1 2872/4885PKM 956/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KMT2A 2312/4885MEN1 2870/4885PKM 1051/4885

“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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