SCHEMBL21585883

SCHEMBL21585883

CC(=O)c1ccc(C#N)c(Oc2cccc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
PGGT1B P53609 2/20 0.53
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
AR P10275 3/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 2/20 0.42
EYA2 O00167 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL29029641 0.81 KMT2A (0.47) FNTAFNTBPGGT1BMAOAMAOB
SCHEMBL27863823 0.80 TTR (0.57) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL9656856 0.80 MAOA (0.48) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL7984102 0.80 AR (0.56) FNTAFNTBPGGT1BARSLC22A12
SCHEMBL21585885 0.79 MAOB (0.65) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL2775115 0.79 MAPT (0.63) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL9656929 0.76 KMT2A (0.52) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL11176242 0.74 MRGPRX4 (0.47) ARMAPTSMN1; SMN2MRGPRX4LMNA
SCHEMBL7293099 0.74 ALDH1A1 (0.56) ARMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL23830071 0.74 AR (0.53) FNTAFNTBPGGT1BARSMN1; 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 9 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
CN-112236433-B Novel compounds 国家医疗保健研究所 2023-04-04 CN 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
CN-112236433-A Novel compounds 国家医疗保健研究所 2021-01-15 CN 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 FNTA 4679/4885FNTB 4378/4885PGGT1B 1757/4885
US-20210253604-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 FNTA 4733/4885FNTB 4461/4885PGGT1B 1815/4885
US-20220267357-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 FNTA 4733/4885FNTB 4462/4885PGGT1B 1855/4885
US-11767333-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK2 FNTA 4701/4885FNTB 4388/4885PGGT1B 1670/4885

“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.