SCHEMBL21646071

SCHEMBL21646071

O=C(/C=C/Cl)Nc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.66
▸ MMP2 P08253 4/20 0.66
▸ MMP9 P14780 4/20 0.66
▸ MAOB P27338 3/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ RAB9A P51151 2/20 0.55
▸ LPAR1 Q92633 1/20 0.53
▸ LPAR2 Q9HBW0 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL21646072 1.00 MMP1 (0.66) MMP1MMP2MMP9MAOBMEN1
SCHEMBL7822560 0.83 LPAR1 (0.77) MMP1MMP2MMP9MAOBMEN1
SCHEMBL7822564 0.83 LPAR1 (0.77) MMP1MMP2MMP9MAOBMEN1
SCHEMBL11756411 0.83 MMP1 (0.66) MMP1MMP2MMP9MAOBMEN1
SCHEMBL12835303 0.82 MMP1 (0.64) MMP1MMP2MMP9MAOBMEN1
SCHEMBL705746 0.80 MMP1 (1.00) MMP1MMP2MMP9MAOBMEN1
SCHEMBL705745 0.80 MMP1 (1.00) MMP1MMP2MMP9MAOBMEN1
SCHEMBL1380349 0.79 TGM2 (0.65) MMP1MMP2MMP9MAOBMEN1
SCHEMBL31162287 0.79 TGM2 (0.65) MMP1MMP2MMP9MAOBMEN1
SCHEMBL13375061 0.79 MEN1 (0.61) MMP1MMP2MMP9MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 — — US 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
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 (2 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 MMP1 3297/4885MMP2 736/4885MMP9 2127/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 MMP1 2019/4885MMP2 469/4885MMP9 1377/4885

“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.

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