SCHEMBL10320183

SCHEMBL10320183

C=CCc1c(C(=O)OCc2ccccc2)ccc([N+](=O)[O-])c1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 3/20 0.42
EGLN1 Q9GZT9 1/20 0.41
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
COMT P21964 1/20 0.39
PDE1C Q14123 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 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
SCHEMBL19511160 0.81 TDP1 (0.49) TDP1ALDH1A1RAB9AKMT2AEGLN1
SCHEMBL4993186 0.81 PDGFRB (0.42) TDP1ALDH1A1L3MBTL1MAPK1POLB
SCHEMBL20865688 0.76 TDP1 (0.49) TDP1ALDH1A1RAB9AKMT2AEGLN1
SCHEMBL7886556 0.75 TDP1 (0.54) TDP1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL2706463 0.75 ALDH1A1 (0.61) TDP1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL10359930 0.73 TDP1 (0.57) TDP1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL11758387 0.72 DTYMK (0.44) TDP1ALDH1A1CYP3A4TSHRBACE1
SCHEMBL428326 0.72 GPR35 (0.42) TDP1ALDH1A1LMNACYP3A4TSHR
SCHEMBL15314942 0.72 ALDH1A1 (0.50) TDP1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL2014208 0.72 TSHR (0.60) TDP1ALDH1A1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 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 (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-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK TDP1 2733/4885ALDH1A1 1507/4885RAB9A 2144/4885

“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.