SCHEMBL4744561

SCHEMBL4744561

COc1ccc(-c2nc(SC)c(C#N)c(N3CCN(c4ccccn4)CC3)n2)cc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 4/20 0.44
BMPR2 Q13873 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7903597 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4748170 0.85 CA2 (0.46) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL4745163 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4745253 0.80 HTT (0.53) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4788324 0.76 BRD4 (0.49) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL4748211 0.75 NPSR1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4748833 0.73 CA12 (0.40) ALDH1A1KDM4EHSD17B10RXFP1HPGD
SCHEMBL4788376 0.70 FLT3 (0.40) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL4788321 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL7900089 0.70 CA2 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US 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 ALDH1A1 825/4885KDM4E 1998/4885L3MBTL1 980/4885

“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.