SCHEMBL755729

SCHEMBL755729

CCOC(=O)C(C)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
NAMPT P43490 1/20 0.48
CYP17A1 P05093 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC7 O00311 3/20 0.42
DBF4 Q9UBU7 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
Pyridine SCHEMBL27529277 0.86 MMP8 (0.49) TSHRALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6154370 0.83 MMP8 (0.51) CYP19A1NAMPTTSHRALDH1A1CDC7
SCHEMBL5983555 0.81 MMP8 (0.57) TSHRLMNASMN1; SMN2GAAKMT2A
SCHEMBL3279844 0.81 KMT2A (0.47) TSHRALDH1A1LMNASMN1; SMN2GAA
SCHEMBL11262091 0.81 CYP19A1 (0.57) CYP19A1CYP17A1TSHRLMNAKMT2A
SCHEMBL304815 0.81 MMP8 (0.57) TSHRLMNASMN1; SMN2GAAKMT2A
SCHEMBL10756249 0.81 MMP8 (0.57) TSHRLMNASMN1; SMN2GAAKMT2A
SCHEMBL12896270 0.81 CYP19A1 (0.57) CYP19A1CYP17A1TSHRLMNAKMT2A
SCHEMBL7799722 0.80 KMT2A (0.39) TSHRALDH1A1LMNASMN1; SMN2GAA
SCHEMBL17086147 0.80 NAMPT (0.44) CYP19A1NAMPTALDH1A1CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462661-A Deuterated 3- (pyridin-4-yl) propionic acid compound, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
CN-115666554-A Novel Maxi-K potassium channel openers for the treatment of fragile X related disorders 凯鲁斯生物科技有限公司 2023-01-31 CN disclosed
CN-104428293-B Adjust the benzimidazole of TNF α UCB生物制药私人有限公司 2018-06-08 CN disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
EP-0694545-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 2000-07-26 EP disclosed
EP-0911331-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1999-04-28 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
EP-0694546-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
EP-0694545-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CYP19A1 4235/4885NAMPT 1624/4885CYP17A1 2795/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP19A1 4211/4885NAMPT 1562/4885CYP17A1 3002/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP19A1 4211/4885NAMPT 1562/4885CYP17A1 3002/4885

“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.