SCHEMBL4123697

SCHEMBL4123697

NC(=O)C(Cc1ncc[nH]1)N[C]=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
FDPS P14324 1/20 0.36
FPR2 P25090 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TERT O14746 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
TAAR1 Q96RJ0 3/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL4123703 0.81 TBXAS1 (0.37) TBXAS1KLK1KLK5FDPSFPR2
SCHEMBL10838551 0.76 TBXAS1 (0.42) TBXAS1KLK1KLK5FDPSFPR2
SCHEMBL18806402 0.75 FDPS (0.41) TBXAS1FDPSFPR2GAASMN1; SMN2
Hydrochloric Acid SCHEMBL10837657 0.74 TBXAS1 (0.44) TBXAS1KLK1KLK5FDPSFPR2
SCHEMBL7431942 0.74 TBXAS1 (0.41) TBXAS1KLK1KLK5FDPSFPR2
SCHEMBL14194797 0.74 TBXAS1 (0.41) TBXAS1KLK1KLK5FDPSFPR2
SCHEMBL4688922 0.72 TBXAS1 (0.43) TBXAS1FDPSFPR2GAASMN1; SMN2
SCHEMBL4688926 0.72 TBXAS1 (0.43) TBXAS1FDPSFPR2GAASMN1; SMN2
SCHEMBL12590256 0.71 FPR2 (0.39) TBXAS1KLK1KLK5FDPSFPR2
SCHEMBL12085920 0.71 FPR2 (0.39) TBXAS1KLK1KLK5FDPSFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 TBXAS1 638/4885KLK1 4621/4885KLK5 4094/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 TBXAS1 638/4885KLK1 4621/4885KLK5 4094/4885

“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.