SCHEMBL3147948

SCHEMBL3147948

CC(C)(C)C(=O)OCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP17A1 P05093 1/20 0.51
CYP19A1 P11511 1/20 0.51
NAPRT Q6XQN6 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HDAC1 Q13547 1/20 0.47
RIPK1 Q13546 1/20 0.47
FAAH O00519 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL3955156 0.86 LMNA (0.48) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL12934601 0.86 RIPK1 (0.57) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL24160987 0.84 CHRNA7 (0.48) TDP1NAPRTCYP3A4CYP1A2CYP2C9
SCHEMBL4665006 0.84 CYP17A1 (0.46) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL4665010 0.84 CYP17A1 (0.46) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL4664410 0.84 CYP17A1 (0.46) KMT2ALMNATDP1CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL4667959 0.83 CYP17A1 (0.45) KMT2ALMNATDP1CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL4666403 0.83 CYP17A1 (0.45) KMT2ALMNATDP1CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL4666399 0.83 CYP17A1 (0.45) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL10812367 0.82 TBXAS1 (0.49) KMT2ALMNATDP1CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 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 (3 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-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 KMT2A 228/4885LMNA 4472/4885TDP1 2090/4885
US-20090105264-A1 Substituted Nicotinamide Compounds SIRT1, NQO1, TXNRD2 KMT2A 121/4885LMNA 2553/4885TDP1 1260/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KMT2A 3464/4885LMNA 1748/4885TDP1 2007/4885

“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.