SCHEMBL7499802

SCHEMBL7499802

COc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.54
▸ ABCC1 P33527 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ PLG P00747 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ PLAT P00750 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SETD7 Q8WTS6 1/20 0.48
▸ TUBB4A P04350 4/20 0.47
▸ TUBB P07437 4/20 0.47
▸ TUBA3C P0DPH7 4/20 0.47
▸ TUBA1B P68363 4/20 0.47
▸ TUBA4A P68366 4/20 0.47
▸ TUBB4B P68371 4/20 0.47
▸ TUBB3 Q13509 4/20 0.47
▸ TUBB2A Q13885 4/20 0.47

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
SCHEMBL7614440 0.93 TSHR (0.57) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL7449464 0.89 MEN1 (0.57) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL7545626 0.88 AKR1C3 (0.48) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL7552310 0.86 ABCB1 (0.58) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL7991743 0.85 AKR1C3 (0.50) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL27889371 0.85 TSHR (0.68) ABCB1MEN1KMT2AMAPTPLG
SCHEMBL7546319 0.85 TP53 (0.56) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL7615616 0.82 PDE4B (0.56) ABCB1ABCC1MAPTAKR1C3AKR1C2
SCHEMBL16712925 0.82 ALDH1A1 (0.57) ABCB1ABCC1MEN1KMT2AMAPT
SCHEMBL7613027 0.82 AKR1C3 (0.52) ABCB1ABCC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors MANLEY PAUL W (CH) 2002-03-07 — — US claimed
CN-114478529-A CDK inhibitor and preparation method thereof 无锡捷化医药科技有限公司 2022-05-13 — — CN disclosed
EP-3148587-B1 CARBONITRILE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS PFIZER (US) 2021-02-24 — — EP disclosed
US-10328082-B2 Methods of use and combinations PFIZER INC. (US) 2019-06-25 — — US disclosed
US-20170252352-A1 METHODS OF USE AND COMBINATIONS PFIZER INC. (US) 2017-09-07 — — US disclosed
CN-106572997-A nitrile derivatives as selective androgen receptor modulators 辉瑞公司 2017-04-19 — — CN disclosed
EP-3148587-A1 CARBONITRILE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Pfizer Inc. (US) 2017-04-05 — — EP disclosed
EP-2925725-B1 NOVEL SELECTIVE ANDROGEN RECEPTOR MODULATORS PFIZER (US) 2016-11-09 — — EP disclosed
CN-104854093-B Novel selective androgen receptor modulators 辉瑞大药厂 2016-10-12 — — CN disclosed
US-9328104-B2 Selective androgen receptor modulators PFIZER INC. (US) 2016-05-03 — — US disclosed
US-6410547-B1 (4-OXY-3-(ARYL)PHENYL)PYRIDINE FOR TREATMENT, PROPHYLAXIS OF INFLAMMATION, ESP. INFLAMMATORY OR OBSTRUCTIVE DISEASES OF THE AIRWAYS, E.G. FOR ASTHMA THERAPY; INHIBITORS OF PDE 4 ISOENZYME; DOWN REGULATE OR INHIBIT TNF-ALPHA RELEASE NOVARTIS AG (CH) 2002-06-25 — — US disclosed
US-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors MANLEY PAUL W (CH) 2002-03-07 — — US disclosed
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HONMA TSUNETOSHI (JP) 2002-02-28 — — US disclosed
US-6346628-B1 REACTING 4-MERCAPTOPHENOL WITH A PROPARYGL GOUP AND PROTECTION OF HYDROXYL GROUP, OXIDIZING THE PRODUCT, AND THERMAL REARRANGEMENT TO CYCLIZE, FOLLOWED BY FURTHER OXIDATION SHIONOGI & CO., LTD. (JP) 2002-02-12 — — US disclosed
US-6320060-B1 INTRODUCING PROPARGYL GROUP INTO 4-MERCAPTOPHENOL, PROTECTING HYDROXYL GROUP, OXIDIZING COMPOUND, SUBJECTING TO THERMAL REARRANGEMENT REACTION, SUBJECTING TO STEPWISE OXIDATION OF HYDROXYMETHYL GROUP AND OPTIONALLY DEPROTECTION SHIONOGI & CO., LTD. (JP) 2001-11-20 — — US disclosed
US-6288092-B1 BIPHENYL PYRIDINES, BENZAMIDES AND PENYLCARBOXY COMPOUNDS USED AS SELECTIVE INHIBITORS OF PHOSPHODIESTERASE 4 ISOENZYME ACTIVITY AND DOWN REGULATORS OR INHIBIT TUMOR NECROSIS FACTOR RELEASE; ANTIHISTAMINES AND ANTIINFLAMMATORY NOVARTIS AG (CH) 2001-09-11 — — US disclosed
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 — — US disclosed
US-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 — — US disclosed
EP-0885193-A1 TRIARYL COMPOUNDS Novartis AG (CH) 1998-12-23 — — EP disclosed
WO-1997032853-A1 TRIARYL COMPOUNDS NOVARTIS AG (CH) 1997-09-12 — — 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 (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-20170252352-A1 METHODS OF USE AND COMBINATIONS MC2R, AR, NR3C2 ABCB1 1310/4885ABCC1 1158/4885MEN1 838/4885
US-10328082-B2 Methods of use and combinations AR, MC2R, ESRRA ABCB1 1203/4885ABCC1 1124/4885MEN1 820/4885
US-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 ABCB1 518/4885ABCC1 1677/4885MEN1 4874/4885
US-20020026061-A1 Process for preparing 5-hydroxybenzo [b] thiophene-3-carboxylic acid derivatives HPD, PTGDR2, PTGS2 ABCB1 186/4885ABCC1 1806/4885MEN1 4310/4885

“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.

Send feedback