SCHEMBL20138876

SCHEMBL20138876

CCc1nc2c(Br)cccc2c(C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DHODH Q02127 2/20 0.38
TSHR P16473 1/20 0.38
EIF4A1 P60842 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PRNP P04156 3/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL28027214 0.86 P2RX3 (0.42) PDE10AALDH1A1KDM4EL3MBTL1P2RX3
SCHEMBL18420435 0.76 ALOX5 (0.47) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL2821238 0.76 FABP4 (0.46) ALDH1A1KDM4EL3MBTL1FABP3FABP4
SCHEMBL22734576 0.72 P2RX3 (0.45) PDE10AALDH1A1KDM4EP2RX3GAA
SCHEMBL8874588 0.71 FABP3 (0.43) PDE10AALDH1A1KDM4EL3MBTL1FABP3
SCHEMBL3061423 0.70 DHODH (0.50) P2RX3FABP3FABP4FABP5KMT2A
SCHEMBL6080337 0.70 CDK9 (0.41) PDE10AALDH1A1KDM4EP2RX3GAA
SCHEMBL3234894 0.69 KDM4E (0.68) PDE10AALDH1A1KDM4EL3MBTL1GAA
SCHEMBL6588228 0.68 MAPT (0.49) PDE10AALDH1A1KDM4EL3MBTL1GAA
SCHEMBL3066041 0.68 DHODH (0.47) ALDH1A1P2RX3FABP3FABP4FABP5

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 6 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
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-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

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 PDE10A 2936/4885ALDH1A1 1655/4885KDM4E 973/4885
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 PDE10A 2657/4885ALDH1A1 1833/4885KDM4E 981/4885
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 PDE10A 2976/4885ALDH1A1 1646/4885KDM4E 947/4885

“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.