SCHEMBL21646065

SCHEMBL21646065

O=C1CCc2cc([N+](=O)[O-])c(F)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
PGR P06401 1/20 0.42
CA9 Q16790 1/20 0.41
PKM P14618 8/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESPL1 Q14674 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL30806271 1.00 KIF11 (0.44) KIF11PGRCA9PKMCYP11B1
SCHEMBL31726677 0.86 PGR (0.46) KIF11PGRESPL1ATMTDP1
SCHEMBL30100717 0.81 KIF11 (0.44) KIF11CA9PKMCYP11B1CYP11B2
SCHEMBL20594837 0.81 MAPT (0.55) KIF11CA9PKMCYP11B1CYP11B2
SCHEMBL29502470 0.81 MAPT (0.55) KIF11CA9PKMCYP11B1CYP11B2
SCHEMBL23674943 0.81 KIF11 (0.44) KIF11CA9PKMCYP11B1CYP11B2
SCHEMBL25387325 0.81 CYP11B1 (0.47) KIF11CA9CYP11B1CYP11B2SMN1; SMN2
SCHEMBL1027734 0.81 KIF11 (0.44) KIF11CA9PKMCYP11B1CYP11B2
SCHEMBL30100755 0.81 KIF11 (0.44) KIF11CA9PKMCYP11B1CYP11B2
SCHEMBL30806668 0.81 KIF11 (0.46) KIF11PGRCA9PKMCYP11B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-04-24 US disclosed
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 US disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
EP-3830079-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS The Trustees of Princeton University (US) 2021-06-09 EP disclosed
US-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-05-27 US disclosed
CN-112638881-A Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers 普林斯顿大学托管委员会 2021-04-09 CN disclosed
WO-2020028461-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-02-06 WO 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 (4 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-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A3, ALDH2 KIF11 1565/4885PGR 3921/4885CA9 1632/4885
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A1, ALDH2 KIF11 1504/4885PGR 2855/4885CA9 1005/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 KIF11 1184/4885PGR 3999/4885CA9 752/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 KIF11 3560/4885PGR 2118/4885CA9 231/4885

“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.