Sugi Predict

Sugi Predict / Compounds / SCHEMBL640780

SCHEMBL640780

SCHEMBL640780

CC(C)(C)OC(=O)c1ccccc1Cn1c(=O)n(C(=O)O)c2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CCR9 P51686 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ KCNA5 P22460 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL640678 0.92 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL640640 0.85 LMNA (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL641509 0.85 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL639896 0.77 GABRG2 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL642619 0.77 LMNA (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL639643 0.74 MEN1 (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL31241094 0.73 LMNA (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL641140 0.72 LMNA (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL640779 0.71 ABCB1 (0.37) ABCB1NR1H2
SCHEMBL21463865 0.71 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 — — US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 — — US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 — — US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 — — US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 — — EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 — — 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MEN1 43/4885KMT2A 4356/4885CYP1A2 1029/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MEN1 43/4885KMT2A 4356/4885CYP1A2 1029/4885

“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.