SCHEMBL2686237

SCHEMBL2686237

Cc1cc(-c2cnc(OCC(=O)O)c([N+](=O)[O-])c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.43
PORCN Q9H237 2/20 0.40
MAPT P10636 1/20 0.39
AGTR1 P30556 1/20 0.39
WNT3A P56704 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKA O14965 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL2686241 1.00 PIK3CB (0.43) PIK3CBPORCNMAPTAGTR1WNT3A
SCHEMBL2685681 0.81 PIK3CB (0.52) PIK3CBPORCNMAPTWNT3AAAK1
SCHEMBL30492208 0.74 SQOR (0.48) MAPTMAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL2033715 0.74 SQOR (0.48) MAPTMAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL2686001 0.73 MEN1 (0.43) MAPTMEN1KMT2AMAPK1AURKA
SCHEMBL2685997 0.73 MEN1 (0.43) MAPTMEN1KMT2AMAPK1AURKA
SCHEMBL11266563 0.72 MAPT (0.49) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL18160498 0.71 ALDH1A1 (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11458373 0.71 AURKA (0.44) MAPTMEN1KMT2AMAPK1AURKA
SCHEMBL20278129 0.71 CTSB (0.44) MAPTMEN1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 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 (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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A PIK3CB 1635/4885PORCN 2620/4885MAPT 4112/4885

“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.