SCHEMBL630404

SCHEMBL630404

CC1CCc2c(cc([N+](=O)[O-])c(OCc3ccccc3)c2Br)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.37
MCL1 Q07820 3/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
POLB P06746 1/20 0.36
PIN1 Q13526 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HPD P32754 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL629645 0.82 POLB (0.42) BCL2MCL1POLBPIN1MEN1
SCHEMBL27921821 0.82 POLB (0.42) POLBPIN1MEN1KMT2AMAPT
SCHEMBL630224 0.81 TSHR (0.38) HTR1AHTR2AHTR2CKDM4ELMNA
SCHEMBL15123629 0.70 MAPT (0.46) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL8044749 0.69 PIN1 (0.44) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL15123094 0.69 PIN1 (0.43) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL27388637 0.68 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL1180288 0.68 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL31415056 0.68 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL25037120 0.67 PIN1 (0.47) PIN1CYP19A1MEN1KMT2AMAPT

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 BCL2 1086/4885MCL1 3151/4885HTR1A 3638/4885

“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.