SCHEMBL4804909

SCHEMBL4804909

O=S(=O)(O)c1ccc(Cl)nc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.49
ALDH1A1 P00352 7/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 2/20 0.45
EGFR P00533 1/20 0.45
NAPRT Q6XQN6 2/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL4804922 0.98 KDM4E (0.59) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL2633979 0.98 KDM4E (0.59) KDM4EPOLBSMN1; SMN2MAPTGAA
Hydrochloric Acid SCHEMBL27566194 0.96 KDM4E (0.57) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL9239536 0.80 KDM4E (0.63) KDM4EPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL17509 0.78 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL29483829 0.78 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL770389 0.78 MEN1 (0.48) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL8438731 0.78 KDM4E (0.65) KDM4EPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL4804914 0.77 SMN1; SMN2 (0.59) POLBSMN1; SMN2MAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL4803286 0.77 SMN1; SMN2 (0.55) POLBSMN1; SMN2MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR KDM4E 1938/4885POLB 4481/4885SMN1; SMN2 3618/4885

“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.