SCHEMBL6300744

SCHEMBL6300744

N#Cc1ccc2cc(Oc3ccc([N+](=O)[O-])cc3Br)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.44
PYGL P06737 1/20 0.44
MERTK Q12866 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
RAD51 Q06609 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSPB1 P04792 2/20 0.41
LRRK2 Q5S007 1/20 0.41
PDE7A Q13946 1/20 0.40
FFAR1 O14842 1/20 0.40
VCAM1 P19320 2/20 0.39
VEGFA P15692 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
SCHEMBL11420199 0.90 MERTK (0.53) EPAS1PYGLMERTKALDH1A1MAPT
SCHEMBL8486260 0.78 BRD4 (0.43) PYGLMERTKALDH1A1MAPTKDM4E
SCHEMBL6296041 0.77 ALDH1A1 (0.43) PYGLMERTKALDH1A1MAPTKDM4E
SCHEMBL6294986 0.77 PYGL (0.44) PYGLMERTKALDH1A1MAPTKDM4E
SCHEMBL6300791 0.76 MAPT (0.40) PYGLMERTKALDH1A1MAPTKDM4E
SCHEMBL6300657 0.76 PYGL (0.52) PYGLMERTKKDM4E
SCHEMBL29683621 0.76 HSPB1 (0.49) ALDH1A1MAPTLMNAGLAGAA
SCHEMBL6300671 0.75 PYGL (0.38) PYGLMERTKALDH1A1MAPTKDM4E
SCHEMBL6294697 0.75 LMNA (0.52) PYGLMERTKALDH1A1MAPTKDM4E
SCHEMBL6296027 0.75 VCAM1 (0.43) PYGLALDH1A1MAPTKDM4ELMNA

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-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP 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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 EPAS1 2737/4885PYGL 1434/4885MERTK 2466/4885

“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.