SCHEMBL773066

SCHEMBL773066

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.49
MAPT P10636 6/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 3/20 0.46
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRM6 O15303 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2C9 P11712 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7024321 0.90 VCAM1 (0.47) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL14739198 0.90 VCAM1 (0.47) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL27011423 0.85 TSHR (0.47) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL12619027 0.85 TSHR (0.47) VCAM1MAPTALDH1A1CYP1A2GRIA1
SCHEMBL1625612 0.85 VCAM1 (0.51) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL2870229 0.85 VCAM1 (0.44) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL2403679 0.85 VCAM1 (0.51) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL3016299 0.85 VCAM1 (0.44) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL7640581 0.85 MAPT (0.58) VCAM1MAPTHTTALDH1A1CYP1A2
SCHEMBL5291433 0.84 MAPT (0.54) VCAM1MAPTHTTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP VCAM1 2428/4885MAPT 63/4885HTT 2465/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP VCAM1 2428/4885MAPT 63/4885HTT 2465/4885

“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.