SCHEMBL7614440

SCHEMBL7614440

COc1ccc(-c2cccc(C(N)=O)c2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ ABCB1 P08183 2/20 0.52
▸ MAPT P10636 2/20 0.51
▸ SETD7 Q8WTS6 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ABCC1 P33527 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ FYN P06241 1/20 0.47
▸ TUBB4A P04350 5/20 0.47
▸ TUBB P07437 5/20 0.47
▸ TUBA3C P0DPH7 5/20 0.47
▸ TUBA1B P68363 5/20 0.47
▸ TUBA4A P68366 5/20 0.47
▸ TUBB4B P68371 5/20 0.47
▸ TUBB3 Q13509 5/20 0.47
▸ TUBB2A Q13885 5/20 0.47
▸ TUBB8 Q3ZCM7 5/20 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
SCHEMBL7499802 0.93 ABCB1 (0.54) TSHRABCB1MAPTSETD7AKR1C3
SCHEMBL7546319 0.89 TP53 (0.56) ABCB1MAPTSETD7AKR1C3AKR1C2
SCHEMBL7545626 0.85 AKR1C3 (0.48) ABCB1MAPTSETD7AKR1C3AKR1C2
SCHEMBL7991743 0.85 AKR1C3 (0.50) TSHRABCB1MAPTSETD7AKR1C3
SCHEMBL7449464 0.85 MEN1 (0.57) ABCB1MAPTSETD7AKR1C3AKR1C2
SCHEMBL28245589 0.83 TSHR (0.81) TSHRMAPTMEN1KMT2AERN1
SCHEMBL7552310 0.82 ABCB1 (0.58) ABCB1MAPTSETD7AKR1C3AKR1C2
SCHEMBL7615616 0.80 PDE4B (0.56) ABCB1MAPTAKR1C3AKR1C2ABCC1
SCHEMBL16712925 0.80 ALDH1A1 (0.57) TSHRABCB1MAPTSETD7AKR1C3
SCHEMBL7613027 0.80 AKR1C3 (0.52) ABCB1MAPTAKR1C3AKR1C2MEN1

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 7 patents. 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
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 — — US claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 TSHR 3602/4885ABCB1 518/4885MAPT 4028/4885

“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.

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