SCHEMBL17837151

SCHEMBL17837151

COc1nn(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
TPMT P51580 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL17856224 0.81 CYP2C9 (0.39) CYP2C9SMN1; SMN2MAPTLMNANPSR1
SCHEMBL1559362 0.78 L3MBTL1 (0.40) MAPTPOLBL3MBTL1MEN1KMT2A
SCHEMBL2184302 0.78 MAPT (0.44) CYP2C9SMN1; SMN2MAPTLMNANPSR1
SCHEMBL14858547 0.74 PKM (0.40) MAPTLMNANPSR1HTTPOLB
SCHEMBL17837245 0.74 POLB (0.37) SMN1; SMN2MAPTLMNAHTTHPGD
SCHEMBL22518573 0.73 CYP2C9 (0.49) CYP2C9SMN1; SMN2MAPTLMNANPSR1
SCHEMBL31714353 0.72 CYP2C9 (0.46) CYP2C9SMN1; SMN2MAPTLMNANPSR1
SCHEMBL30380703 0.72 SMN1; SMN2 (0.47) CYP2C9SMN1; SMN2MAPTLMNANPSR1
SCHEMBL31714372 0.72 SMN1; SMN2 (0.40) CYP2C9SMN1; SMN2MAPTLMNANPSR1
SCHEMBL25019061 0.70 SMN1; SMN2 (0.38) CYP2C9SMN1; SMN2MAPTLMNANPSR1

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-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
EP-3237423-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS Eli Lilly and Company (US) 2017-11-01 EP disclosed
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 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 (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-20160375030-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 CYP2C9 3789/4885SMN1; SMN2 4774/4885MAPT 3351/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 CYP2C9 3789/4885SMN1; SMN2 4774/4885MAPT 3351/4885

“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.