SCHEMBL15513239

SCHEMBL15513239

O=C(O)N1CC=C(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.43
MAPT P10636 2/20 0.41
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL15513241 1.00 NAMPT (0.43) NAMPTMAPTDPP4ALDH1A1LMNA
SCHEMBL595687 0.83 GRM1 (0.52) NAMPTMAPTALDH1A1LMNA
SCHEMBL29977228 0.83 GRM1 (0.52) NAMPTMAPTALDH1A1LMNA
SCHEMBL5659741 0.81 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10035937 0.81 SLC6A4 (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL23210852 0.79 NAMPT (0.46) NAMPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2636728 0.79 NAMPT (0.46) NAMPTALDH1A1SMN1; SMN2
SCHEMBL13490336 0.76 NAMPT (0.43) NAMPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28878989 0.76 NAMPT (0.43) NAMPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12489502 0.76 CHRM1 (0.52) NAMPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
EP-2885291-A1 VEGFR3 INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2015-06-24 EP disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20140073620-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-13 US disclosed
WO-2014026243-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-02-20 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 (4 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-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR NAMPT 2087/4885MAPT 2971/4885DPP4 3027/4885
US-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR NAMPT 1280/4885MAPT 3347/4885DPP4 3667/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR NAMPT 1300/4885MAPT 3456/4885DPP4 3836/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR NAMPT 1280/4885MAPT 3347/4885DPP4 3667/4885

“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.