Sugi Predict

Sugi Predict / Compounds / SCHEMBL537132

SCHEMBL537132

SCHEMBL537132

CSCCNC(=O)c1cccc(NN)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.45
▸ PAX8 Q06710 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL12574371 0.86 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL3400562 0.82 LMNA (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL537946 0.81 HPGD (0.56) SMN1; SMN2HPGDTP53LMNAALDH1A1
SCHEMBL1925940 0.78 HDAC1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL4347123 0.78 RAB9A (0.68) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL3055037 0.78 ALDH1A1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL13483905 0.77 L3MBTL1 (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL13102471 0.76 L3MBTL1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL16644055 0.76 NPC1 (0.64) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL1927069 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 — — US disclosed
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 — — US disclosed
EP-2414375-A1 NOVEL AMIDE DERIVATIVES OF STEROIDALÝ3,2-C¨PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY AstraZeneca AB (SE) 2012-02-08 — — EP disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
WO-2010114471-A1 NOVEL AMIDE DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 — — WO disclosed
WO-2010114471-A1 NOVEL AMIDE DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 — — 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 (2 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-20100256104-A1 NOVEL AMIDE COMPOUNDS H1-4, H1-3, H1-5 NPC1 2071/4885RAB9A 1171/4885SMN1; SMN2 2473/4885
US-20130237507-A1 Novel Amide Compounds H1-4, H1-3, H1-5 NPC1 1980/4885RAB9A 1163/4885SMN1; SMN2 2389/4885

“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.