SCHEMBL6970906

SCHEMBL6970906

CC(=O)c1ccc(C#N)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NR4A1 P22736 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
APAF1 O14727 1/20 0.40
HSD17B1 P14061 3/20 0.39
PGR P06401 1/20 0.39
CYP2A6 P11509 1/20 0.39
CA5A P35218 1/20 0.39
HPGD P15428 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
SCHEMBL7942553 0.85 PKM (0.50) PKMCYP11B1CYP11B2ALDH1A1NR4A1
SCHEMBL1267736 0.82 KDM4E (0.57) ALDH1A1MAPTHTTPOLBCA5A
SCHEMBL2369495 0.81 S1PR3 (0.51) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL30737737 0.81 S1PR3 (0.51) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL2427132 0.80 CA1 (0.62) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL32665335 0.80 ERN1 (0.42) ALDH1A1MAPTHPGD
SCHEMBL5899647 0.79 S1PR3 (0.52) CYP11B1CYP11B2ALDH1A1
SCHEMBL842203 0.79 CYP11B1 (0.42) PKMCYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL1953476 0.79 CYP11B2 (0.60) CYP11B1CYP11B2MAPT
SCHEMBL22212824 0.78 HDAC3 (0.45) ALDH1A1MAPTMEN1KMT2APOLB

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 18 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-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-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-116217603-A New compounds 国家医疗保健研究所 2023-06-06 CN 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-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
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
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
US-6649636-B1 Cyclooxygenase inhibitors PFIZER INC. 2003-11-18 US disclosed
EP-1104759-B1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1104759-A1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP 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 PKM 772/4885CYP11B1 1607/4885CYP11B2 1859/4885
US-20210253604-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 PKM 885/4885CYP11B1 2253/4885CYP11B2 2458/4885
US-20220267357-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 PKM 886/4885CYP11B1 2267/4885CYP11B2 2464/4885
US-11767333-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK2 PKM 850/4885CYP11B1 1487/4885CYP11B2 1701/4885

“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.