SCHEMBL19911535

SCHEMBL19911535

CCn1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.55
SLC9A1 P19634 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
PTK2 Q05397 2/20 0.43
NSD2 O96028 1/20 0.43
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
GLS O94925 1/20 0.42

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
SCHEMBL19911532 0.88 HCAR3 (0.57) HCAR3SLC9A1CYP1A2ALDH1A1MGAM
SCHEMBL19911564 0.88 SLC9A1 (0.50) HCAR3SLC9A1CYP1A2ALDH1A1MGAM
SCHEMBL19911531 0.86 HCAR3 (0.59) HCAR3SLC9A1CYP1A2ALDH1A1MGAM
SCHEMBL19911537 0.85 ALDH1A1 (0.47) CYP1A2ALDH1A1MGAMAMY1AGAA
SCHEMBL19911547 0.84 ALDH1A1 (0.44) HCAR3CYP1A2ALDH1A1MGAMAMY1A
SCHEMBL3474345 0.84 ALDH1A1 (0.44) HCAR3CYP1A2ALDH1A1MGAMAMY1A
SCHEMBL20986085 0.82 ALDH1A1 (0.46) HCAR3CYP1A2ALDH1A1MGAMAMY1A
SCHEMBL19911534 0.81 ALDH1A1 (0.44) CYP1A2ALDH1A1MGAMAMY1AGAA
SCHEMBL19911543 0.81 ALDH1A1 (0.44) CYP1A2ALDH1A1MGAMAMY1AGAA
SCHEMBL3724968 0.80 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111465603-B Triazolopyridines as gamma secretase modulators 勃林格殷格翰国际有限公司 2024-01-09 CN disclosed
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-24 US disclosed
US-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-21 US disclosed
EP-3672971-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE Boehringer Ingelheim International GmbH (DE) 2020-07-01 EP 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 (3 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-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BACE1, BACE2, APP HCAR3 3204/4885SLC9A1 4743/4885CYP1A2 1146/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 HCAR3 4636/4885SLC9A1 341/4885CYP1A2 2689/4885
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BACE1, BACE2, APP HCAR3 3204/4885SLC9A1 4743/4885CYP1A2 1146/4885

“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.