SCHEMBL20138887

SCHEMBL20138887

COCc1c(C(=O)O)cnc2c(Br)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 3/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ ADAM17 P78536 3/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ HAVCR2 Q8TDQ0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ PRNP P04156 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ HIF1AN Q9NWT6 1/20 0.35

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
SCHEMBL17128367 0.80 MMP1 (0.47) MMP1MMP13ADAM17MMP9HAVCR2
SCHEMBL20138998 0.75 HAVCR2 (0.52) MMP1MMP13ADAM17MMP9HAVCR2
SCHEMBL437026 0.75 HAVCR2 (0.68) MMP1MMP13ADAM17MMP9HAVCR2
SCHEMBL20702345 0.74 MMP1 (0.49) MMP1MMP13ADAM17MMP9HAVCR2
SCHEMBL20138821 0.73 BRD4 (0.42) MMP1MMP13ADAM17MMP9ALDH1A1
SCHEMBL20154235 0.73 BRD4 (0.42) MMP1MMP13ADAM17MMP9ALDH1A1
SCHEMBL30071430 0.73 BRD4 (0.42) MMP1MMP13ADAM17MMP9ALDH1A1
SCHEMBL30071070 0.72 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL20154238 0.72 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL15168790 0.71 KDM4E (0.54) MMP1MMP13ADAM17MMP9ALDH1A1

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
US-11505545-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-22 — — US disclosed
CN-109890793-B Novel anthelmintic quinoline-3-carboxamide derivatives 拜耳动物保健有限责任公司 2022-11-18 — — CN disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 — — EP disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 — — EP disclosed
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2021-04-22 — — US disclosed
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2021-04-22 — — US disclosed
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-01-12 — — US disclosed
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-01-12 — — US disclosed
EP-3538512-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES Bayer Animal Health GmbH (DE) 2019-09-18 — — EP disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 — — WO disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 — — 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 (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-11505545-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 MMP1 3406/4885MMP13 4016/4885ADAM17 3344/4885
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 MMP1 3675/4885MMP13 4204/4885ADAM17 3487/4885
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 MMP1 3570/4885MMP13 4138/4885ADAM17 3376/4885

“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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