SCHEMBL4804922

SCHEMBL4804922

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.53
GAA P10253 2/20 0.50
ALDH1A1 P00352 7/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 2/20 0.46
EGFR P00533 1/20 0.46
NAPRT Q6XQN6 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL2633979 1.00 KDM4E (0.59) KDM4EPOLBSMN1; SMN2MAPTGAA
Hydrochloric Acid SCHEMBL27566194 0.98 KDM4E (0.57) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL4804909 0.98 KDM4E (0.57) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL17509 0.80 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL29483829 0.80 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL770389 0.80 MEN1 (0.48) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL8438731 0.79 KDM4E (0.65) KDM4EPOLBSMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL4803286 0.78 SMN1; SMN2 (0.55) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL188710 0.78 ALDH1A1 (0.63) POLBSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL19055 0.78 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.