SCHEMBL6935128

SCHEMBL6935128

[CH2]c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC8 Q9BY41 4/20 0.45

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
SCHEMBL5592648 0.89 MEN1 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL3765919 0.81 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL3549311 0.81 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL5549558 0.81 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL7428266 0.80 CA12 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL6708273 0.79 L3MBTL1 (0.79) CA12CA1CA2CA9MAPT
SCHEMBL490629 0.79 CA12 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL20870704 0.79 EPHX2 (0.70) CA12CA1CA2CA9MAPT
SCHEMBL6521536 0.79 CA12 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL1310823 0.79 HDAC1 (0.67) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159299-C Arylalkylpyridzinones Ĭ��ר���ɷ����޹�˾ 2004-07-28 CN disclosed
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-0738715-B1 Arylalkyl-pyridazinones MERCK PATENT GMBH (DE) 2003-01-29 EP disclosed
US-20020111356-A1 Arylalkylpyridazinones MERCK KGAA (DE) 2002-08-15 US disclosed
US-6399611-B1 2-(4-ETHOXYCARBONYLAMINOBENZYL)-6-(3,4 -DIMETHOXYPHENYL)-2,3,4, 5-TETRAHYDROPYRIDAZIN-3-ONE OR ALTERNATELY BENZYL SUBSTITUTED COMPOUNDS; PHOSPHODIESTERASE IV AND TUMOUR NECROSIS FACTOR INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-06-04 US disclosed
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
EP-0702013-B1 Imidazopyridines MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
CN-1064962-C Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-04-25 CN disclosed
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
CN-1142493-A Arylalkylpyridzinones MERCK PATENT GMBH (DE) 1997-02-12 CN disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 EP disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
EP-0505893-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1992-09-30 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 (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-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A CA12 4510/4885CA1 3756/4885CA2 975/4885

“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.