SCHEMBL5720536

SCHEMBL5720536

ON=CNc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PARP10 Q53GL7 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MAPK14 Q16539 2/20 0.39
SMO Q99835 2/20 0.39

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
SCHEMBL6285192 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
SCHEMBL5711092 0.83 HTR2C (0.49) SMN1; SMN2KDM4EALDH1A1PARP10NPC1
SCHEMBL5711093 0.83 HTR2C (0.49) SMN1; SMN2KDM4EALDH1A1PARP10NPC1
SCHEMBL23537856 0.76 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
SCHEMBL9304271 0.76 PARP10 (0.59) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
SCHEMBL6977226 0.76 ALDH1A1 (0.58) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
SCHEMBL22874534 0.75 PARP10 (0.66) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
Hydrochloric Acid SCHEMBL128810 0.75 PARP10 (0.57) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
SCHEMBL22967626 0.74 ALDH1A1 (0.55) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2
SCHEMBL14037350 0.73 PARP10 (0.52) SMN1; SMN2KDM4EALDH1A1PARP10CYP1A2

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
US-7078400-B2 20-HETE synthase inhibitor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-07-18 US disclosed
EP-1226819-B1 INHIBITOR FOR 20-HETE-YIELDING ENZYME TAISHO PHARMACEUTICAL CO LTD (JP) 2006-01-18 EP disclosed
US-6864254-B1 Inhibitor for 20-hete-yielding enzyme TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-03-08 US disclosed
US-20040110830-A1 20-HETE synthase inhibitor TAISHO PHARMACEUTICAL CO., LTD. 2004-06-10 US disclosed
EP-1226819-A1 INHIBITOR FOR 20-HETE-YIELDING ENZYME TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-07-31 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-20040110830-A1 20-HETE synthase inhibitor ALOX5, ALOX15, ALOX15B SMN1; SMN2 3886/4885KDM4E 1210/4885ALDH1A1 606/4885

“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.