SCHEMBL12318445

SCHEMBL12318445

Bc1nc([N+](=O)[O-])ccc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.37
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 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
SCHEMBL28029436 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTSHRTDP1KDM4E
Ammonia Solution, Strong SCHEMBL27768089 0.79 ALDH1A1 (0.43) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL31481295 0.78 ALDH1A1 (0.42) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL28128795 0.78 ALDH1A1 (0.44) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL12588533 0.78 ALDH1A1 (0.42) ALDH1A1MAPTTSHRTDP1KDM4E
Formamide SCHEMBL29243328 0.73 NOS3 (0.39) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL29243315 0.73 NOS3 (0.39) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL8558796 0.71 KMT2A (0.47) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL9393018 0.69 ALDH1A1 (0.47) ALDH1A1MAPTTSHRTDP1GAA
SCHEMBL2488382 0.69 ALDH1A1 (0.41) ALDH1A1MAPTTDP1KDM4EGAA

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-8022207-B2 Compound having affinity to amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2011-09-20 US disclosed
US-20110201808-A1 NOVEL COMPOUND HAVING AFFINITY TO AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2011-08-18 US disclosed
US-20100249407-A1 Novel Compound Having Affinity to Amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 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 (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-20110201808-A1 NOVEL COMPOUND HAVING AFFINITY TO AMYLOID APBA1, APP, BACE1 ALDH1A1 942/4885MAPT 17/4885TSHR 1510/4885
US-20100249407-A1 Novel Compound Having Affinity to Amyloid APBA1, APP, BACE1 ALDH1A1 942/4885MAPT 17/4885TSHR 1510/4885

“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.