SCHEMBL18157971

SCHEMBL18157971

NC(c1cc([N+](=O)[O-])ccn1)C(Cc1cc([N+](=O)[O-])ccn1)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTPRA P18433 1/20 0.33
PDE4D Q08499 2/20 0.33
CLK1 P49759 1/20 0.32
ROCK1 Q13464 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19214828 0.81 CYP3A4 (0.38) L3MBTL1CYP1A2CYP3A4PTPRAPDE4D
SCHEMBL1619390 0.73 LOXL2 (0.46) CDC7L3MBTL1CYP1A2CYP3A4ROCK1
SCHEMBL7669106 0.71 TSHR (0.43) L3MBTL1CYP1A2CYP3A4LMNATSHR
SCHEMBL3716664 0.70 TSHR (0.42) CYP3A4PDE4DLMNATSHRALDH1A1
SCHEMBL2468958 0.70 MAPT (0.45) L3MBTL1CYP1A2CYP3A4LMNATSHR
SCHEMBL2768180 0.70 TSHR (0.42) L3MBTL1CYP1A2CYP3A4PDE4DLMNA
SCHEMBL694426 0.70 POLB (0.43) L3MBTL1CYP1A2CYP3A4LMNATSHR
SCHEMBL2470383 0.70 TSHR (0.49) L3MBTL1CYP1A2CYP3A4LMNATSHR
SCHEMBL30001321 0.68 ALDH1A1 (0.39) L3MBTL1CYP1A2CYP3A4PDE4DLMNA
SCHEMBL29186936 0.68 ALDH1A1 (0.39) L3MBTL1CYP1A2CYP3A4PDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 CDC7 2146/4885L3MBTL1 2001/4885CYP1A2 3189/4885

“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.