SCHEMBL2676405

SCHEMBL2676405

O=[N+]([O-])c1ccc[c]c1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
MAPT P10636 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL6032303 0.83 NPC1 (0.47) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL2122144 0.76 MAPT (0.49) MAPTL3MBTL1MEN1KMT2AHTT
SCHEMBL102602 0.76 MAPT (0.77) EGFRMAPTL3MBTL1MEN1KMT2A
SCHEMBL5154337 0.73 KMT2A (0.41) MAPTL3MBTL1MEN1KMT2ARECQL
SCHEMBL4598888 0.72 POLB (0.39) MAPTL3MBTL1KMT2AHTTPOLB
SCHEMBL2675694 0.72 MAPT (0.54) EGFRMAPTL3MBTL1MEN1KMT2A
SCHEMBL14655347 0.71 POLB (0.41) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL7099122 0.71 EGFR (0.55) EGFRMAPTMEN1KMT2AHTT
SCHEMBL1843804 0.71 MEN1 (0.48) EGFRMAPTL3MBTL1MEN1KMT2A
SCHEMBL7164868 0.70 MAPT (0.84) MAPTL3MBTL1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073945-B2 Alpha-IIb-beta-3 inhibitors and uses thereof THE ROCKEFELLER UNIVERSITY (US) 2015-07-07 US disclosed
US-20120190645-A1 Organic compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-8173661-B2 Alpha-IIB-beta-3 inhibitors and uses thereof THE ROCKEFELLER UNIVERSITY (US) 2012-05-08 US disclosed
US-20100150913-A1 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2010-06-17 US disclosed
WO-2008057601-A2 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2008-05-15 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-20120190645-A1 Organic compounds ICAM1, VCAM1, PLAT EGFR 2610/4885MAPT 2102/4885L3MBTL1 1534/4885
US-20100150913-A1 ORGANIC COMPOUNDS ICAM1, VCAM1, PLAT EGFR 2610/4885MAPT 2102/4885L3MBTL1 1534/4885

“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.