SCHEMBL6295751

SCHEMBL6295751

Cc1ccc([N+](=O)[O-])c(Oc2ccc3cc(C#N)ccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.52
MAPT P10636 2/20 0.48
AR P10275 2/20 0.45
LRRK2 Q5S007 1/20 0.43
VCAM1 P19320 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TBXA2R P21731 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
F10 P00742 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6300840 0.90 MERTK (0.64) MERTKMAPTARLRRK2VCAM1
SCHEMBL860782 0.80 MERTK (0.68) MERTKMAPTARLRRK2VCAM1
SCHEMBL6300550 0.78 AR (0.50) ARTBXA2RALDH1A1
SCHEMBL6294693 0.78 AR (0.50) ARTBXA2RALDH1A1
SCHEMBL6578552 0.76 MERTK (0.53) MERTKMAPTARLRRK2VCAM1
SCHEMBL22925789 0.75 MEN1 (0.54) MAPTCYP3A4TSHRMEN1KMT2A
SCHEMBL693418 0.74 MEN1 (0.53) MERTKMAPTARLRRK2VCAM1
SCHEMBL641434 0.74 PDE7A (0.54) MERTKMAPTCYP3A4TSHRMEN1
SCHEMBL9186815 0.74 TDP1 (0.48) MERTKMAPTARVCAM1CYP3A4
SCHEMBL18792997 0.74 HTR6 (0.58) MAPTCYP3A4TSHRMEN1KMT2A

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 MERTK 2466/4885MAPT 4849/4885AR 146/4885

“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.