SCHEMBL2686211

SCHEMBL2686211

COc1cc(-c2ccncc2)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
AHR P35869 1/20 0.47
CYP19A1 P11511 1/20 0.46
LMNA P02545 4/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE4D Q08499 1/20 0.42
PDE4B Q07343 1/20 0.42
APP P05067 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL3055529 0.84 CHRNB4 (0.52) MAPTCYP19A1LMNAABCG2PTGS1
SCHEMBL5960698 0.82 DYRK1A (0.55) MAPTCYP19A1LMNAPTGS1PTGS2
SCHEMBL1689880 0.79 ERN1 (0.43) MAPTCYP19A1LMNAPTGS1PTGS2
SCHEMBL309863 0.77 LMNA (0.61) MAPTCYP19A1LMNAPTGS1PTGS2
SCHEMBL8008016 0.77 PTGS1 (0.59) MAPTCYP19A1LMNAPTGS1PTGS2
SCHEMBL2684708 0.77 KMT2A (0.52) MAPTAHRHTTMEN1KMT2A
Ethylene SCHEMBL27534902 0.76 PTGS1 (0.59) MAPTLMNAPTGS1PTGS2HTT
SCHEMBL1689828 0.75 CYP1A1 (0.49) MAPTCYP19A1LMNAABCG2PTGS1
SCHEMBL4610120 0.75 SMN1; SMN2 (0.50) MAPTLMNAHTTMEN1KMT2A
SCHEMBL29175169 0.73 KDM4E (0.67) LMNAKDM4E

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-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
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
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
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 MAPT 4112/4885AHR 570/4885CYP19A1 77/4885

“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.