SCHEMBL13563348

SCHEMBL13563348

CCNc1nc(NCC)n2c(SCc3nc(=O)c4ccccc4[nH]3)nnc2n1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ CTDSP1 Q9GZU7 3/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ THRB P10828 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL4348438 0.85 HTT (0.55) HTTALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL9179087 0.65 RAB9A (0.50) ALDH1A1RAB9AKMT2A
SCHEMBL9384223 0.65 DDAH1 (0.58) HTTALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL19095412 0.61 LMNA (0.52) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL8501957 0.61 PARP1 (0.60) ALDH1A1RAB9A
SCHEMBL2489613 0.60 HTT (0.49) HTTALDH1A1LMNAL3MBTL1CTDSP1
SCHEMBL1586540 0.60 PARP1 (0.55) ALDH1A1RAB9A
SCHEMBL6081732 0.60 PDE10A (0.44) HTTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2767091 0.60 ALDH1A1 (0.47) HTTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4288877 0.60 PDE10A (0.44) HTTALDH1A1LMNASMN1; SMN2RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277236-A1 METHOD FOR INHIBITING MMP-9 DIMERIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — 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-20120277236-A1 METHOD FOR INHIBITING MMP-9 DIMERIZATION MMP9, MMP10, MMP2 HTT 3048/4885ALDH1A1 2458/4885LMNA 1638/4885

“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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