Sugi Predict

Sugi Predict / Compounds / SCHEMBL163728

SCHEMBL163728

SCHEMBL163728

FC(F)(F)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 1.00
▸ ALDH1A1 P00352 2/20 0.68
▸ TSHR P16473 1/20 0.68
▸ BACE1 P56817 2/20 0.63
▸ PTPN5 P54829 1/20 0.56
▸ SCN2A Q99250 2/20 0.53
▸ GLO1 Q04760 1/20 0.53
▸ TRPV6 Q9H1D0 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ AGXT P21549 1/20 0.48

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
SCHEMBL27887943 0.97 KIF11 (0.95) KIF11ALDH1A1TSHRBACE1PTPN5
Ammonia Solution, Strong SCHEMBL21809401 0.97 KIF11 (0.95) KIF11ALDH1A1TSHRBACE1PTPN5
Water SCHEMBL7382449 0.97 KIF11 (0.95) KIF11ALDH1A1TSHRBACE1PTPN5
Hydrazine SCHEMBL27541145 0.95 KIF11 (0.90) KIF11ALDH1A1TSHRBACE1PTPN5
Nitrogen SCHEMBL261370 0.95 KIF11 (0.90) KIF11ALDH1A1TSHRBACE1PTPN5
SCHEMBL197238 0.88 KIF11 (0.78) KIF11ALDH1A1TSHRTRPV6
SCHEMBL29914837 0.88 KIF11 (0.78) KIF11ALDH1A1TSHRTRPV6
SCHEMBL13410633 0.88 KIF11 (0.78) KIF11ALDH1A1TSHRTRPV6
SCHEMBL11310344 0.87 KIF11 (0.77) KIF11ALDH1A1TSHRBACE1PTPN5
SCHEMBL23059907 0.87 KIF11 (0.75) KIF11ALDH1A1TSHRBACE1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707610-A Chiral nitrile compound and preparation method thereof 安徽中医药大学 2025-03-28 — — CN claimed
CN-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 — — CN claimed
US-20240141370-A1 AGRICULTURAL COMPOSITIONS AND RELATED METHODS FLAGSHIP PIONEERING INNOVATIONS VI LLC (US) 2024-05-02 — — US claimed
EP-3122707-B1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-25 — — EP claimed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 — — US claimed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 — — US claimed
EP-2879679-A2 ANTIBACTERIAL PROTEIN KINASE INHIBITORS The Ohio State University (US) 2015-06-10 — — EP claimed
WO-2014022382-A2 ANTIBACTERIAL PROTEIN KINASE INHIBITORS THE OHIO STATE UNIVERSITY (US) 2014-02-06 — — WO claimed
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 — — US claimed
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP claimed
WO-2005023735-A2 CARBON-CARBON BOND CREATION METHOD COMPRISING THE COUPLING OF A TRANSFERABLE GROUP AND AN ACCEPTOR GROUP RHODIA CHIMIE (FR) 2005-03-17 — — WO claimed
US-20040034028-A1 4-(biphenylcarbonylamino)piperidine derivatives as mtp inhibitors MERCK PATENT GMBH (DE) 2004-02-19 — — US claimed
EP-1335912-A1 4-(BIPHENYLCARBONYLAMINO)PIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GmbH (DE) 2003-08-20 — — EP claimed
US-20030149272-A1 Method for preparing a polyaromatic compound RHODIA CHIMIE (FR) 2003-08-07 — — US claimed
JP-2003522744-A — — 2003-07-29 — — JP claimed
US-6590100-B2 Reacting an aromatic compound bearing a leaving group and an arylboronic acid and/or its derivatives in the presence of a base and an effective amount of a nickel catalyst RHODIA CHIMIE (FR) 2003-07-08 — — US claimed
US-20020173652-A1 Process for preparing a polyaromatic compound SHASUN PHARMA SOLUTIONS, INC. 2002-11-21 — — US claimed
EP-1255715-A1 METHOD FOR PREPARING A POLYAROMATIC COMPOUND RHODIA CHIMIE (FR) 2002-11-13 — — EP claimed
WO-2002042291-A1 4-(BIPHENYLCARBONYLAMINO)PIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2002-05-30 — — WO claimed
WO-2001058834-A1 METHOD FOR PREPARING A POLYAROMATIC COMPOUND RHODIA CHIMIE (FR) 2001-08-16 — — WO claimed

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-20040034028-A1 4-(biphenylcarbonylamino)piperidine derivatives as mtp inhibitors LIPC, CETP, MTTP KIF11 4245/4885ALDH1A1 1940/4885TSHR 1380/4885
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 KIF11 3280/4885ALDH1A1 4619/4885TSHR 4255/4885
US-20020173652-A1 Process for preparing a polyaromatic compound PAH, ALK, ITPA KIF11 1852/4885ALDH1A1 2981/4885TSHR 4264/4885
US-20030149272-A1 Method for preparing a polyaromatic compound PCNA, PAH, AOC1 KIF11 1424/4885ALDH1A1 1506/4885TSHR 4646/4885

“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.