SCHEMBL5521763

SCHEMBL5521763

CCCc1nc(N2C[C@@H]3[C@@H](N)[C@@H]3C2)sc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
IKBKB O14920 6/20 0.32
HSD17B10 Q99714 2/20 0.31
PABPC1 P11940 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
REV1 Q9UBZ9 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
POLB P06746 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL2826368 0.80 MAPT (0.40) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2691296 0.74 ALDH1A1 (0.49) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2691295 0.74 ALDH1A1 (0.49) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2691292 0.74 ALDH1A1 (0.49) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2826922 0.74 DRD3 (0.38) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL3100377 0.73 ALDH1A1 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2822919 0.70 ALDH1A1 (0.37) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL14164263 0.69 HRH3 (0.48)
SCHEMBL2824168 0.67 MEN1 (0.32) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2694909 0.66 ABCC2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 MAPT 2190/4885SMN1; SMN2 4646/4885KDM4E 676/4885

“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.