SCHEMBL19911547

SCHEMBL19911547

COCn1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.43
HCAR3 P49019 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2 Q05397 3/20 0.41
CYP1A2 P05177 1/20 0.40
NSD2 O96028 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL19911579 0.89 ALDH1A1 (0.44) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911535 0.84 HCAR3 (0.55) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911532 0.82 HCAR3 (0.57) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911537 0.81 ALDH1A1 (0.47) ALDH1A1MGAMAMY1AGAASI
SCHEMBL3474345 0.81 ALDH1A1 (0.44) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911531 0.80 HCAR3 (0.59) ALDH1A1MGAMAMY1AGAASI
SCHEMBL20986085 0.78 ALDH1A1 (0.46) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911543 0.78 ALDH1A1 (0.44) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911534 0.78 ALDH1A1 (0.44) ALDH1A1MGAMAMY1AGAASI
SCHEMBL3724968 0.77 TDO2 (0.47) ALDH1A1MGAMAMY1AGAASI

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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 ALDH1A1 3497/4885MGAM 3479/4885AMY1A 4249/4885

“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.