SCHEMBL14587404

SCHEMBL14587404

CB(O)N1CC=C(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
QDPR P09417 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PGR P06401 2/20 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
SCHEMBL14617530 0.86 KMT2A (0.40) SLC6A4ACHEALDH1A1HPGDNPC1
SCHEMBL10201925 0.82 MAPT (0.39) QDPRMAPTRAB9A
SCHEMBL16904565 0.80 TDP1 (0.32) SLC6A4ALDH1A1HPGDMAPTKMT2A
SCHEMBL18372245 0.78 QDPR (0.42) SLC6A4QDPRKMT2A
SCHEMBL14810722 0.78 QDPR (0.58) SLC6A4QDPRSIRT6NPC1RAB9A
SCHEMBL13379895 0.77 ALDH1A1 (0.44) QDPRALDH1A1NPC1RAB9AKMT2A
SCHEMBL5659741 0.74 ALDH1A1 (0.46) QDPRALDH1A1HPGDNPC1MAPT
SCHEMBL27945231 0.74 KDM4E (0.41) QDPRALDH1A1HPGDMAPTKMT2A
SCHEMBL31488994 0.73 NAMPT (0.54) QDPRALDH1A1HPGDSLC6A3MAPT
SCHEMBL10035919 0.72 MAPT (0.51) ACHEHSD17B10SIRT6ALDH1A1MAPT

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-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
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
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US 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 (5 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 SLC6A4 4176/4885ACHE 4606/4885HSD17B10 2448/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R SLC6A4 417/4885ACHE 3660/4885HSD17B10 2267/4885
US-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR SLC6A4 4227/4885ACHE 4885/4885HSD17B10 2142/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR SLC6A4 4348/4885ACHE 4885/4885HSD17B10 2112/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR SLC6A4 4227/4885ACHE 4885/4885HSD17B10 2142/4885

“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.