SCHEMBL6300840

SCHEMBL6300840

Cc1ccc([N+](=O)[O-])c(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.64
MAPT P10636 2/20 0.55
AR P10275 2/20 0.49
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
VCAM1 P19320 2/20 0.43
HPGD P15428 1/20 0.41
TBXA2R P21731 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
LRRK2 Q5S007 1/20 0.41
SCN9A Q15858 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2A6 P11509 1/20 0.41
NPC1 O15118 1/20 0.39

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
SCHEMBL6295751 0.90 MERTK (0.52) MERTKMAPTARTSHRCYP3A4
SCHEMBL860782 0.87 MERTK (0.68) MERTKMAPTARALDH1A1MAPK1
SCHEMBL641434 0.81 PDE7A (0.54) MERTKMAPTTSHRCYP3A4ALDH1A1
SCHEMBL18792997 0.81 HTR6 (0.58) MAPTTSHRCYP3A4ALDH1A1MAPK1
SCHEMBL1299420 0.80 MERTK (0.60) MERTKMAPTALDH1A1SMN1; SMN2VCAM1
SCHEMBL1340217 0.80 MERTK (0.62) MERTKMAPTALDH1A1SMN1; SMN2VCAM1
SCHEMBL922684 0.77 AR (0.58) MERTKARALDH1A1TBXA2RSCN9A
SCHEMBL27729647 0.77 MERTK (0.67) MERTKMAPTALDH1A1SMN1; SMN2VCAM1
SCHEMBL9507369 0.76 MAPT (0.68) MERTKMAPTALDH1A1MAPK1HPGD
SCHEMBL22925789 0.76 MEN1 (0.54) MAPTTSHRCYP3A4ALDH1A1MAPK1

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.