SCHEMBL19911544

SCHEMBL19911544

CCC(C)n1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.59
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39
CYP2D6 P10635 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
SCHEMBL19911562 0.89 HCAR3 (0.52) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL30447942 0.86 HCAR3 (0.55) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL19911536 0.86 HCAR3 (0.55) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL10712046 0.83 HCAR3 (0.46) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL19911535 0.77 HCAR3 (0.55) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL19848521 0.77 HCAR3 (0.63) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL19911369 0.76 ALDH1A1 (0.51) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL5382257 0.76 GLS (0.53) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL19911585 0.76 HCAR3 (0.62) HCAR3MEN1KMT2AMAPTCYP1A2
SCHEMBL21991683 0.76 HCAR3 (0.62) HCAR3MEN1KMT2ACYP1A2HPGD

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 HCAR3 4636/4885MEN1 1058/4885KMT2A 458/4885

“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.