SCHEMBL4083997

SCHEMBL4083997

Nc1cccc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
MAOB P27338 5/20 0.57
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 2/20 0.50
LCK P06239 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
P2RY14 Q15391 1/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 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
SCHEMBL4079350 0.88 ALOX5 (0.65) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL4083623 0.84 ALOX5 (0.59) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL8589680 0.81 ALOX5 (0.65) ALOX5MAOBRAB9ACYP3A4LCK
SCHEMBL51460 0.79 ALOX5 (1.00) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL1807134 0.79 CYP3A4 (0.53) GAAMAPTL3MBTL1CYP3A4NPC1
SCHEMBL28662350 0.78 ALOX5 (0.89) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL16105620 0.78 ALOX5 (0.59) ALOX5MAOBRAB9ACYP3A4LCK
SCHEMBL3964657 0.77 MMP2 (0.53)
SCHEMBL4053551 0.77 MAOB (0.59) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL30040891 0.76 MAOB (0.63) ALOX5MAOBRAB9AGAAMAPT

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
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
US-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 ALOX5 4354/4885MAOB 1714/4885RAB9A 4183/4885

“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.