SCHEMBL599375

SCHEMBL599375

BrOc1nncc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
GOT1 P17174 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MPO P05164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
MAOA P21397 1/20 0.48
PTGS1 P23219 1/20 0.48
THPO P40225 1/20 0.48
AOX1 Q06278 1/20 0.48
ACOX1 Q15067 1/20 0.48
MAPT P10636 2/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL9461493 0.85 LMNA (0.56) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL8809641 0.82 ALDH1A1 (0.59) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL29674926 0.82 ALDH1A1 (0.59) LMNATP53SMN1; SMN2NPC1RAB9A
Formaldehyde SCHEMBL23529395 0.80 LMNA (0.52) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL8809522 0.79 RAB9A (0.58) LMNATP53SMN1; SMN2NPC1RAB9A
Sulfur Dioxide SCHEMBL27498686 0.79 LMNA (0.51) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL21965729 0.77 LMNA (0.43) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL8808680 0.77 LMNA (0.52) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL27706464 0.77 POLB (0.44) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL5067312 0.76 POLB (0.49) LMNATP53SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772481-B2 Aza- and diaza-phthalazine compounds as P38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2014-07-08 US disclosed
US-8497269-B2 Phthalazine compounds as p38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2013-07-30 US disclosed
US-20120108587-A1 Aza- and Diaza-Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-05-03 US disclosed
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-02-16 US disclosed
WO-2010042649-A2 PHTHALAZINE COMPOUNDS AS p38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 WO disclosed
WO-2010042646-A1 AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AS P38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 WO 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-20120108587-A1 Aza- and Diaza-Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof MAPK1, MAPK3, MAPK12 LMNA 3700/4885TP53 1309/4885SMN1; SMN2 3300/4885
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof MAPK1, MAPK4, MAPK12 LMNA 4011/4885TP53 1737/4885SMN1; SMN2 3287/4885

“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.