SCHEMBL4748211

SCHEMBL4748211

COc1ccc(-c2nc(NN)c(C#N)c(SC)n2)cc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
CA12 O43570 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
KDR P35968 1/20 0.39
PIM1 P11309 1/20 0.39
CA4 P22748 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.38
ENPP3 O14638 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4748833 0.88 CA12 (0.40) NPSR1CA12CA2CA9PIM1
SCHEMBL4788376 0.83 FLT3 (0.40) NPSR1CA12CA2CA9KDM4E
SCHEMBL7899416 0.82 CA2 (0.40) CA12CA2CA9CA4ALDH1A1
SCHEMBL4748170 0.79 CA2 (0.46) NPSR1CA12CA2CA9KDM4E
SCHEMBL4744572 0.78 MAPT (0.55) NPSR1PIM1KDM4EHPGDALDH1A1
SCHEMBL4744561 0.75 ALDH1A1 (0.45) CA12CA2CA9KDM4EHPGD
SCHEMBL8384543 0.73 NPSR1 (0.53) NPSR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7898409 0.72 CA12 (0.40) CA12CA2CA9CA4ALDH1A1
SCHEMBL8383001 0.72 NPSR1 (0.44) NPSR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4747831 0.71 NPSR1 (0.51) NPSR1KDM4EHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S NPSR1 992/4885CA12 3795/4885CA2 2732/4885

“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.