SCHEMBL4083623

SCHEMBL4083623

Nc1cc(OCc2ccccc2)cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
MAOB P27338 5/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL4083997 0.84 ALOX5 (0.65) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL29418792 0.80 ALOX5 (0.59) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL4898966 0.80 ALOX5 (0.59) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL293760 0.79 CYP3A4 (0.46) RAB9AGAAMAPTL3MBTL1MEN1
SCHEMBL21822345 0.79 ALOX5 (0.57) ALOX5MAOBMAOAMEN1KMT2A
SCHEMBL5330815 0.78 CYP3A4 (0.55) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL21822589 0.78 ALOX5 (0.56) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL27599864 0.78 ALOX5 (0.56) ALOX5MAOBRAB9AGAAMAPT
SCHEMBL293052 0.77 AGXT (0.41) RAB9AGAAMAPTSMN1; SMN2CYP3A4
SCHEMBL29385685 0.76 ALOX5 (0.54) ALOX5MAOBRAB9AMAPTMAOA

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-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-7476665-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
US-20060135511-A1 Benzodiazepine cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-06-22 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 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 (2 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-20060135511-A1 Benzodiazepine cgrp receptor antagonists NPY1R, NPY2R, CCKBR ALOX5 3184/4885MAOB 698/4885RAB9A 1176/4885
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.