SCHEMBL4204237

SCHEMBL4204237

O=C(Cl)c1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.79
MEN1 O00255 2/20 0.79
ALDH1A1 P00352 2/20 0.79
KMT2A Q03164 2/20 0.79
TEAD4 Q15561 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2C9 P11712 2/20 0.79
GMNN O75496 1/20 0.79
TTR P02766 1/20 0.79
PKM P14618 1/20 0.79
NFKB1 P19838 1/20 0.79
UGT1A1 P22309 1/20 0.79
PTGS1 P23219 1/20 0.79
PTGS2 P35354 1/20 0.79
PMP22 Q01453 1/20 0.79
DHODH Q02127 1/20 0.79
HIF1A Q16665 1/20 0.79
GPR35 Q9HC97 1/20 0.79
TDP1 Q9NUW8 1/20 0.79

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
Niflumic Acid SCHEMBL4886924 0.88 DHODH (1.00) LMNAMEN1ALDH1A1KMT2ATEAD4
Niflumic Acid SCHEMBL24706 0.88 DHODH (1.00) LMNAMEN1ALDH1A1KMT2ATEAD4
Niflumic Acid SCHEMBL29364001 0.88 DHODH (1.00) LMNAMEN1ALDH1A1KMT2ATEAD4
Niflumic Acid SCHEMBL29373503 0.88 DHODH (1.00) LMNAMEN1ALDH1A1KMT2ATEAD4
SCHEMBL5953848 0.88 LMNA (0.78) LMNAMEN1ALDH1A1KMT2ATEAD4
Niflumic Acid SCHEMBL10435526 0.87 LMNA (0.97) LMNAMEN1ALDH1A1KMT2ATEAD4
SCHEMBL12608890 0.87 LMNA (0.79) LMNAMEN1ALDH1A1KMT2ATEAD4
Niflumic Acid SCHEMBL8925125 0.87 DHODH (0.97) LMNAMEN1ALDH1A1KMT2ATEAD4
SCHEMBL25392363 0.85 LMNA (0.76) LMNAMEN1ALDH1A1KMT2ATEAD4
SCHEMBL22492824 0.84 LMNA (0.78) LMNAMEN1ALDH1A1KMT2ATEAD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613318-A4 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORP (US) 2009-03-11 EP disclosed
US-20060094714-A1 Compounds and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-04 US disclosed
EP-1613318-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-01-11 EP disclosed
WO-2004087880-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-10-14 WO disclosed
EP-1054868-B1 SUBSTITUTED PYRIDINO ARYLPIPERAZINES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA ORTHO MCNEIL PHARM INC (US) 2003-09-24 EP disclosed
US-6218396-B1 SELECTIVELY INHIBITS BINDING TO AN ADRENERGIC RECEPTOR ORTH-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
EP-1054868-A1 NOVEL SUBSTITUTED PYRIDINO ARYLPIPERAZINES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-29 EP disclosed
WO-1999042448-A1 NOVEL SUBSTITUTED PYRIDINO ARYLPIPERAZINES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-08-26 WO disclosed
US-4546106-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1985-10-08 US disclosed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 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-20060094714-A1 Compounds and their use to treat diabetes and related disorders IAPP, SLC5A2, SLC5A1 LMNA 2697/4885MEN1 894/4885ALDH1A1 426/4885

“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.