SCHEMBL21101402

SCHEMBL21101402

CN(C)c1c(C(=O)O)cnc2c(-c3ccccc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HNF4A P41235 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
LDHA P00338 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MYC P01106 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
DHODH Q02127 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38

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
SCHEMBL21101074 0.90 BCAT2 (0.45) KMT2AMEN1SMN1; SMN2MMP1MMP9
SCHEMBL29440739 0.86 HAVCR2 (0.42) HAVCR2LDHANR1H2NR1H3MYC
SCHEMBL21101077 0.86 HAVCR2 (0.42) HAVCR2LDHANR1H2NR1H3MYC
Hydrochloric Acid SCHEMBL28436307 0.85 HAVCR2 (0.41) HAVCR2NR1H2NR1H3MYCDHODH
Hydrochloric Acid SCHEMBL30853500 0.85 HAVCR2 (0.41) HAVCR2NR1H2NR1H3MYCDHODH
SCHEMBL21101257 0.84 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20702345 0.81 MMP1 (0.49) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL30207766 0.78 HAVCR2 (0.35) HAVCR2ALDH1A1DHODH
SCHEMBL21101258 0.77 CTSA (0.37) SMN1; SMN2HAVCR2NPC1GAARAB9A
SCHEMBL29454737 0.77 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308153-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-10-01 US disclosed
WO-2019115768-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-06-20 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 (1 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-20200308153-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 KMT2A 367/4885MEN1 1907/4885SMN1; SMN2 3768/4885

“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.