SCHEMBL19214784

SCHEMBL19214784

CNCCNCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.50
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH3A1 P30838 1/20 0.47
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL6953167 0.85 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL2060922 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ETSHRCYP2C19
Hydrochloric Acid SCHEMBL27326903 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL5108066 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL13325439 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL10437248 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL514501 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL27778443 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL10052620 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ETSHRCYP2C19
SCHEMBL20024573 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ETSHRCYP2C19

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 ALDH1A1 2313/4885KMT2A 2562/4885KDM4E 2067/4885

“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.