SCHEMBL355199

SCHEMBL355199

N#C[C]=Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
CYP11B2 P19099 3/20 0.48
CYP11B1 P15538 1/20 0.48
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP19A1 P11511 2/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.41
VCP P55072 1/20 0.41
GAA P10253 1/20 0.40
KIF20A O95235 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL10417578 0.77 MAPT (0.51) MAPTALDH1A1KMT2AMAPK1CYP11B2
SCHEMBL12160281 0.77
SCHEMBL2384026 0.75
SCHEMBL16215726 0.75
SCHEMBL1514086 0.73 ALDH1A1 (0.38) MAPTALDH1A1KMT2AMAPK1KDM4E
SCHEMBL7646254 0.73 ALDH1A1 (0.38) MAPTALDH1A1KMT2AMAPK1KDM4E
SCHEMBL9383784 0.73 ALDH1A1 (0.38) MAPTALDH1A1KMT2AMAPK1KDM4E
SCHEMBL14175196 0.72 CYP11B2 (0.48) MAPTALDH1A1KMT2AMAPK1CYP11B2
SCHEMBL4933440 0.72 CYP11B2 (0.59) MAPTALDH1A1KMT2AMAPK1CYP11B2
SCHEMBL1898942 0.72 CYP11B2 (0.59) MAPTALDH1A1KMT2AMAPK1CYP11B2

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 10 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-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
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
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 MAPT 2275/4885ALDH1A1 2806/4885KMT2A 1210/4885

“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.