SCHEMBL1449930

SCHEMBL1449930

CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(O)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.59
JAK3 P52333 2/20 0.59
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
LTA4H P09960 4/20 0.52
NPC1 O15118 1/20 0.49
PGR P06401 1/20 0.49
CCR5 P51681 4/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MCHR1 Q99705 1/20 0.47
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46

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
Hydrochloric Acid SCHEMBL1449244 0.99 JAK2 (0.58) JAK2JAK3RAB9AMEN1ALDH1A1
SCHEMBL1449247 0.88 LTA4H (0.50) JAK2JAK3LTA4HPGRCCR5
SCHEMBL1449837 0.88 LTA4H (0.55) JAK2JAK3ALDH1A1LTA4HPGR
Hydrochloric Acid SCHEMBL1449491 0.88 MCHR1 (0.51) JAK2JAK3KMT2ALTA4HCCR5
SCHEMBL1449963 0.86 LTA4H (0.50) JAK2JAK3ALDH1A1LTA4HPGR
Hydrochloric Acid SCHEMBL1448777 0.86 LTA4H (0.50) JAK2JAK3MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1449895 0.85 NPC1 (0.52) JAK2JAK3RAB9AALDH1A1LTA4H
Hydrochloric Acid SCHEMBL6438666 0.84 LTA4H (0.54) KMT2ALTA4HPGRCCR5HRH3
Hydrochloric Acid SCHEMBL1449325 0.84 LTA4H (0.65) JAK2JAK3ALDH1A1KMT2ALTA4H
SCHEMBL1449907 0.82 LTA4H (0.54) JAK2JAK3RAB9AALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP 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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 JAK2 337/4885JAK3 353/4885RAB9A 1230/4885

“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.