Sugi Predict

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SCHEMBL355250

SCHEMBL355250

Cc1cnncc1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ROCK1 Q13464 6/20 0.35
▸ ROCK2 O75116 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ F10 P00742 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL19119203 0.87 KMT2A (0.39) KMT2AMEN1LMNAGAARAB9A
SCHEMBL354220 0.86 ROCK1 (0.38) LMNAGAAROCK1ROCK2MAPT
SCHEMBL353786 0.82 KMT2A (0.37) KMT2AMEN1LMNAGAARAB9A
SCHEMBL353762 0.82 NPC1 (0.37) KMT2AMEN1LMNAGAARAB9A
SCHEMBL352881 0.82 KMT2A (0.40) KMT2AMEN1LMNAGAARAB9A
SCHEMBL352646 0.82 F10 (0.33) KMT2AMEN1LMNAGAARAB9A
SCHEMBL353525 0.82 RAB9A (0.38) KMT2AMEN1LMNAGAARAB9A
SCHEMBL352961 0.82 KMT2A (0.37) KMT2AMEN1LMNAGAARAB9A
SCHEMBL354863 0.81 KMT2A (0.39) KMT2AMEN1LMNAGAARAB9A
SCHEMBL352359 0.81 LMNA (0.41) KMT2AMEN1LMNAGAARAB9A

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 — — US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 — — US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 — — EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 — — WO claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 — — US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 — — US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 — — EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 — — 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA KMT2A 1210/4885MEN1 4239/4885LMNA 4293/4885

“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.