Sugi Predict

Sugi Predict / Compounds / SCHEMBL353345

SCHEMBL353345

SCHEMBL353345

CN(Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)c1cccnc1N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ F10 P00742 3/20 0.36
▸ F2 P00734 2/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CHIA Q9BZP6 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CFD P00746 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
SCHEMBL352642 0.94 NAMPT (0.38) EPHX2RAB9ANPC1F2ROCK2
SCHEMBL354215 0.88 TSHR (0.35) EPHX2F10F2TSHRHSD17B10
SCHEMBL353550 0.83 ROCK2 (0.49) ROCK2ROCK1TSHRHSD17B10ALDH1A1
SCHEMBL353566 0.82 NAMPT (0.38) EPHX2F2ALDH1A1NAMPT
SCHEMBL352905 0.79 ROCK2 (0.47) ROCK2ROCK1NAMPT
SCHEMBL355250 0.78 KMT2A (0.38) RAB9ANPC1F10F2ROCK2
SCHEMBL352881 0.78 KMT2A (0.40) RAB9ANPC1F10F2ROCK2
SCHEMBL354067 0.77 F10 (0.38) RAB9ANPC1F10F2ROCK2
SCHEMBL353459 0.77 KMT2A (0.38) RAB9ANPC1F10F2ROCK2
SCHEMBL352895 0.76 SMN1; SMN2 (0.39) RAB9ANPC1F10F2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 — — EP claimed
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-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 — — EP disclosed
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

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 EPHX2 4031/4885RAB9A 1714/4885NPC1 3444/4885

“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.