SCHEMBL630175

SCHEMBL630175

CCC1CCc2cc(OCc3ccccc3)c([N+](=O)[O-])cc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
CTSV O60911 4/20 0.41
CTSL P07711 4/20 0.41
ABCB1 P08183 1/20 0.39
CYP19A1 P11511 4/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GAA P10253 1/20 0.38
CHRNA7 P36544 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL629197 0.81 CTSV (0.42) POLBMEN1MAPTKMT2ACTSV
SCHEMBL629877 0.81 POLB (0.55) POLBMEN1MAPTKMT2ACTSV
SCHEMBL629804 0.81 CHRNA7 (0.41) CHRNA7
SCHEMBL2569839 0.79 CHRNA7 (0.59) POLBMEN1MAPTKMT2ACTSV
SCHEMBL2571014 0.78 POLB (0.49) POLBMEN1MAPTKMT2ACTSV
SCHEMBL7116860 0.74 POLB (0.56) POLBMEN1MAPTKMT2ACTSV
SCHEMBL629565 0.74 STS (0.41) MAPTCYP19A1KDM4EALDH1A1
SCHEMBL11232948 0.71 ABCB1 (0.57) POLBMEN1MAPTKMT2ACTSV
SCHEMBL2566781 0.70 POLB (0.47) POLBMEN1KMT2ACTSVCTSL
SCHEMBL8316270 0.70 MEN1 (0.55) POLBMEN1MAPTKMT2ACTSV

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 2445/4885MEN1 4331/4885MAPT 3222/4885

“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.