SCHEMBL21585885

SCHEMBL21585885

CC(=O)c1ccc(C#N)c(OCc2cccc(Cl)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.65
MAOA P21397 4/20 0.65
MRGPRX4 Q96LA9 5/20 0.54
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
NR4A2 P43354 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ENPP2 Q13822 1/20 0.47

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
SCHEMBL20897567 0.82 MRGPRX4 (0.64) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL20897512 0.81 MRGPRX4 (0.63) MAOBMAOAMRGPRX4RXRARXRB
SCHEMBL21585879 0.80 BRD4 (0.48)
SCHEMBL30359958 0.80 BRD4 (0.48)
SCHEMBL21585883 0.79 FNTA (0.53) MAOBMAOAMRGPRX4NPC1ALDH1A1
SCHEMBL8694329 0.78 MAOB (1.00) MAOBMAOARXRARXRBRXRG
SCHEMBL29029641 0.78 KMT2A (0.47) MAOBMAOANPC1ALDH1A1RAB9A
SCHEMBL6211864 0.78 MRGPRX4 (0.62) MRGPRX4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL366522 0.77 MRGPRX4 (0.56) MAOBMAOAMRGPRX4NPC1ALDH1A1
SCHEMBL8143434 0.74 HPGD (0.54) MRGPRX4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802550-B1 NOVEL BENZIMIDAMIDES COMPOUNDS COMPRISING AN OXABORININ RING INST NAT SANTE RECH MED (FR) 2023-12-27 EP disclosed
US-11767333-B2 Benzimidamides compounds comprising an oxaborinin ring INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-09-26 US disclosed
US-20220267357-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2022-08-25 US disclosed
US-11352372-B2 Benzimidamides compounds comprising an oxaborinin ring INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2022-06-07 US disclosed
US-20210253604-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-08-19 US disclosed
EP-3802550-A1 NOVEL BENZIMIDAMIDES COMPOUNDS COMPRISING AN OXABORININ RING INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2021-04-14 EP disclosed
WO-2019234075-A1 NOVEL BENZIMIDAMIDES COMPOUNDS COMPRISING AN OXABORININ RING INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-12-12 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-11352372-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK5 MAOB 882/4885MAOA 828/4885MRGPRX4 1280/4885
US-20210253604-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 MAOB 1018/4885MAOA 769/4885MRGPRX4 1047/4885
US-20220267357-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 MAOB 1026/4885MAOA 858/4885MRGPRX4 1055/4885
US-11767333-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK2 MAOB 844/4885MAOA 843/4885MRGPRX4 1330/4885

“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.