SCHEMBL2573993

SCHEMBL2573993

CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 5/20 0.51
CYP2D6 P10635 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CTSB P07858 1/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL19500738 0.89 CDK1 (0.49) ALDH1A1LMNASMN1; SMN2CTSBTSHR
SCHEMBL9609632 0.88 ALDH1A1 (0.51) KMT2AALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL2573641 0.84 CTSB (0.67) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL15687836 0.84 KMT2A (0.51) KMT2AALDH1A1CYP2D6L3MBTL1HPGD
SCHEMBL18331627 0.83 MAPT (0.50) KMT2AALDH1A1CYP2D6L3MBTL1HPGD
SCHEMBL15688075 0.82 LMNA (0.71) KMT2AALDH1A1CYP2D6L3MBTL1HPGD
SCHEMBL25246395 0.81 ALDH1A1 (0.50) KMT2AALDH1A1CYP2D6L3MBTL1HPGD
SCHEMBL1420633 0.81 NR1H2 (0.49) KMT2AALDH1A1CYP2D6L3MBTL1HPGD
SCHEMBL28027182 0.81 ALDH1A1 (0.48) KMT2AALDH1A1CYP2D6L3MBTL1HPGD
SCHEMBL31202966 0.80 LMNA (0.43) KMT2AALDH1A1LMNASMN1; SMN2CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US disclosed
CN-101516860-B Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG 2012-06-27 CN disclosed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
CN-101516860-A Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 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-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors JAK2, JAK3, JAK1 KMT2A 1585/4885ALDH1A1 1245/4885CYP2D6 1212/4885

“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.