Sugi Predict

Sugi Predict / Compounds / SCHEMBL842203

SCHEMBL842203

SCHEMBL842203

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ APAF1 O14727 1/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL22811356 0.85 GRM4 (0.44) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL16951768 0.85 ABCG2 (0.37) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL108705 0.83 ALDH1A1 (0.48) ALDH1A1MAPTS1PR3S1PR1HPGD
SCHEMBL31227427 0.81 S1PR3 (0.41) ALDH1A1S1PR3S1PR1BLMHPGD
SCHEMBL4580974 0.81 S1PR3 (0.41) ALDH1A1S1PR3S1PR1BLMHPGD
SCHEMBL2143380 0.81 NOTUM (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20787536 0.81 HDAC8 (0.47) SMN1; SMN2S1PR3S1PR1HPGD
SCHEMBL29430721 0.81 NOTUM (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30737737 0.79 S1PR3 (0.51) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL2369495 0.79 S1PR3 (0.51) CYP11B1CYP11B2ALDH1A1MEN1KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 — — US disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 — — US disclosed
EP-4168394-A1 AMIDOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 — — EP disclosed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 — — WO disclosed
CN-110003231-A 1,1- spiral shell norbornane-pyrans simultaneously [4,3-b] chromone compounds and its preparation method and application 遵义医科大学 2019-07-12 — — CN disclosed
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 — — EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 — — US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 — — US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 — — US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 — — US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 — — US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 — — US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 — — US disclosed
WO-2011156245-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-12-15 — — WO disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 — — US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 — — US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 — — US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 — — EP disclosed
CN-101687797-A Malonamide derivatives with antithrombotic activity SANOFI AVENTIS 2010-03-31 — — CN disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 — — 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 (5 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI CYP11B1 2682/4885CYP11B2 2684/4885ALDH1A1 293/4885
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI CYP11B1 493/4885CYP11B2 664/4885ALDH1A1 2733/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 CYP11B1 502/4885CYP11B2 670/4885ALDH1A1 2406/4885
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 CYP11B1 137/4885CYP11B2 133/4885ALDH1A1 1558/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 CYP11B1 137/4885CYP11B2 133/4885ALDH1A1 1558/4885

“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.