SCHEMBL4166120

SCHEMBL4166120

COc1cc(C(C)=O)c([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 2/20 0.43
ABCB1 P08183 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TTR P02766 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL16649234 0.88 PKM (0.54) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL4108486 0.87 L3MBTL1 (0.59) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL30716507 0.87 L3MBTL1 (0.59) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL2313877 0.86 LMNA (0.46) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL7814814 0.86 POLB (0.49) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL9908176 0.83 HTT (0.54) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL19514652 0.83 L3MBTL1 (0.49) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL12779095 0.83 L3MBTL1 (0.49) L3MBTL1LMNAHTTPOLBMAPT
SCHEMBL11802771 0.82 MAPT (0.46) LMNAHTTMAPTCYP3A4TTR
SCHEMBL25427390 0.81 ALDH1A1 (0.53) L3MBTL1LMNAHTTPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP disclosed
US-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 US disclosed
EP-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 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 (2 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP L3MBTL1 3854/4885LMNA 472/4885HTT 3915/4885
US-20090099175-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A L3MBTL1 4601/4885LMNA 4140/4885HTT 1827/4885

“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.