SCHEMBL629645

SCHEMBL629645

O=[N+]([O-])c1cc2c(c(Br)c1OCc1ccccc1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PIN1 Q13526 2/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
DHODH Q02127 1/20 0.37
MAPT P10636 2/20 0.37
HPD P32754 1/20 0.37
MGMT P16455 1/20 0.37
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
THRA P10827 1/20 0.36

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
SCHEMBL27921821 0.98 POLB (0.42) POLBPIN1PTGESMEN1KMT2A
SCHEMBL8044749 0.86 PIN1 (0.44) POLBPIN1PTGESMEN1KMT2A
SCHEMBL630404 0.82 BCL2 (0.37) POLBPIN1MEN1KMT2ANPC1
SCHEMBL27940470 0.79 DHODH (0.44) POLBMAOBMAOADHODHMAPT
SCHEMBL15123629 0.75 MAPT (0.46) POLBPIN1MEN1KMT2ANPC1
SCHEMBL629877 0.75 POLB (0.55) POLBPIN1MEN1KMT2ANPC1
SCHEMBL17131933 0.73 MAPT (0.36) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL25037120 0.72 PIN1 (0.47) PIN1PTGESMEN1KMT2ANPC1
SCHEMBL31601635 0.72 PIN1 (0.47) PIN1PTGESMEN1KMT2ANPC1
SCHEMBL5394063 0.71 POLB (0.44) POLBMEN1KMT2ANPC1RAB9A

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC POLB 2445/4885PIN1 1175/4885PTGES 244/4885

“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.