SCHEMBL19911536

SCHEMBL19911536

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.55
HPGD P15428 2/20 0.55
HCAR2 Q8TDS4 1/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
NSD2 O96028 1/20 0.43
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
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
SCHEMBL30447942 1.00 HCAR3 (0.55) HCAR3HPGDHCAR2MEN1KMT2A
SCHEMBL10712046 0.88 HCAR3 (0.46) HCAR3HPGDHCAR2MEN1KMT2A
SCHEMBL19911555 0.88 HPGD (0.48) HCAR3HPGDHCAR2MEN1KMT2A
SCHEMBL19911544 0.86 HCAR3 (0.59) HCAR3HPGDHCAR2MEN1KMT2A
SCHEMBL210082 0.80 NSD2 (0.61) HCAR3HPGDMEN1KMT2AMAPT
SCHEMBL19911546 0.77 MAPT (0.44) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL8424662 0.76 ALDH1A1 (0.46) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL19911542 0.76 MAPT (0.47) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL27627284 0.76 ALDH1A1 (0.46) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL19911558 0.76 HCAR3 (0.55) HCAR3HPGDMEN1KMT2AMAPT

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
EP-4463150-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME Shenzhen Ionova Life Science Co., Ltd. (CN) 2024-11-20 EP disclosed
WO-2023137406-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-20 WO disclosed
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 4636/4885HPGD 2179/4885HCAR2 4697/4885

“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.