SCHEMBL3540663

SCHEMBL3540663

O=CC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
ALPG P10696 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GABBR2 O75899 1/20 0.34

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
SCHEMBL20521097 0.91 ALDH1A1 (0.42) ALDH1A1LMNAALPGSMN1; SMN2GAA
SCHEMBL1515692 0.91 ALDH1A1 (0.42) ALDH1A1LMNAALPGSMN1; SMN2GAA
SCHEMBL3907273 0.89 ACHE (0.54) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2789136 0.87 LTA4H (0.42)
SCHEMBL6608820 0.84 ALDH1A1 (0.44) ALDH1A1LMNA
SCHEMBL20703707 0.84 SMN1; SMN2 (0.46) LMNASMN1; SMN2GAA
SCHEMBL6603370 0.82 PTGS2 (0.50)
SCHEMBL1515731 0.82 ALOX5 (0.33) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL20495153 0.82 HSPB1 (0.53) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6189088 0.80 PTGDR2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023594-A9 2‑DIARYLMETHYL‑4‑AMINOTETRAHYDROPYRAN DERIVATIVES AND RELATED COMPOUNDS AS ANTICANCER, ANTIINFLAMMATORY, ANTIFIBROTIC AND NEUROPROTECTIVE AGENTS ATUX ISKAY LLC (US) 2023-06-08 WO disclosed
WO-2023023594-A1 2‑DIARYLMETHYL‑4‑AMINOTETRAHYDROPYRAN DERIVATIVES AND RELATED COMPOUNDS AS ANTICANCER, ANTIINFLAMMATORY, ANTIFIBROTIC AND NEUROPROTECTIVE AGENTS ATUX ISKAY LLC (US) 2023-02-23 WO disclosed
CN-109666008-A A kind of synthetic method of lomerizine hydrochloride 辰欣药业股份有限公司 2019-04-23 CN disclosed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 US disclosed
EP-1776348-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-25 EP disclosed
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 WO disclosed
EP-1115729-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B Merck Frosst Canada & Co. (CA) 2001-07-18 EP disclosed
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000017211-A1 PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA & CO. (CA) 2000-03-30 WO disclosed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 WO disclosed
EP-0458387-B1 Isochromane derivatives AKZO NOBEL NV (NL) 1996-07-03 EP disclosed
US-5393759-A Isochromane derivatives AKZO N.V. (NL) 1995-02-28 US disclosed
US-5238939-A Isochromane derivatives AKZO N.V. (NL) 1993-08-24 US disclosed
EP-0458387-A1 Isochromane derivatives Akzo Nobel N.V. (NL) 1991-11-27 EP disclosed
US-4113972-A ANTIDEPRESSANTS BEECHAM GROUP LIMITED (GB) 1978-09-12 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-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 IDO1 2336/4885TDO2 2722/4885HDAC3 663/4885

“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.