SCHEMBL19214828

SCHEMBL19214828

CC(N)Cc1cc([N+](=O)[O-])ccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4D Q08499 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTPRA P18433 1/20 0.36
ROCK1 Q13464 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL18157971 0.81 CDC7 (0.33) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL1619390 0.78 LOXL2 (0.46) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL694426 0.78 POLB (0.43) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL7669106 0.76 TSHR (0.43) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL2470383 0.75 TSHR (0.49) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL2468958 0.75 MAPT (0.45) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL3716664 0.75 TSHR (0.42) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL2768180 0.75 TSHR (0.42) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL12193312 0.74 HTT (0.40) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL26640123 0.74 L3MBTL1 (0.43) CYP3A4ALDH1A1TDP1TSHRLMNA

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 1 patent. 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

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 CYP3A4 2911/4885ALDH1A1 2313/4885TDP1 3170/4885

“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.