SCHEMBL4140401

SCHEMBL4140401

CN(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 1.00
HPGD P15428 4/20 0.77
NPC1 O15118 2/20 0.77
CES2 O00748 6/20 0.65
CES1 P23141 5/20 0.65
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
ALDH1A1 P00352 6/20 0.61
MAPT P10636 5/20 0.61
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
KDM4E B2RXH2 1/20 0.58
KCNK3 O14649 1/20 0.57
CASP3 P42574 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1B1 Q16678 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL30671562 0.98 RAB9A (0.96) RAB9AHPGDNPC1CES2CES1
Michler'S Ketone SCHEMBL10883748 0.94 RAB9A (0.89) RAB9AHPGDNPC1CES2CES1
SCHEMBL194888 0.91 RAB9A (0.83) RAB9AHPGDNPC1CES2CES1
SCHEMBL28230346 0.87 HPGD (1.00) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL43585 0.87 HPGD (1.00) RAB9AHPGDNPC1KMT2AMEN1
Michler'S Ketone SCHEMBL3324670 0.87 HPGD (1.00) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL25803102 0.85 RAB9A (0.73) RAB9AHPGDNPC1CES2CES1
Hydrochloric Acid SCHEMBL10950983 0.85 HPGD (0.96) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL4174554 0.84 RAB9A (0.73) RAB9AHPGDNPC1KMT2AMEN1
Benzil SCHEMBL1422480 0.84 CES2 (0.78) RAB9AHPGDNPC1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
WO-2023220463-A1 METHODS OF FORMING AN OBJECT IN A VOLUME OF A PHOTOHARDENABLE COMPOSITION QUADRATIC 3D, INC. (US) 2023-11-16 WO disclosed
CN-112920065-B Benzil compound and preparation method and application thereof 上海中医药大学 2023-04-25 CN disclosed
CN-102906215-B Photochromic material MITSUBISHI GAS CHEMICAL CO 2014-11-05 CN disclosed
CN-102906215-A Photochromic material MITSUBISHI GAS CHEMICAL CO 2013-01-30 CN disclosed
CN-101371197-B Photosensitive dry film resist, printed wiring board making use of the same, and process for producing printed wiring board KANEKA CORP 2012-12-26 CN disclosed
EP-2397468-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD Abe, Jiro (JP) 2011-12-21 EP disclosed
EP-2397468-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD Abe, Jiro (JP) 2011-12-21 EP disclosed
US-20110306743-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
US-20110306743-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
US-4721734-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed
US-4598076-A 2-pyrrolin-3-carbonitril-derivatives, pharmaceutical compositions containing them and their anti-inflammatory and ulcer protective activity WARNER-LAMBERT COMPANY (US) 1986-07-01 US disclosed
EP-0091045-B1 2-PYRROLINE-3-CARBONITRILE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-02-26 EP disclosed
US-4517185-A 2-Pyrrolin-3-carbonitrile derivatives, and pharmaceutical compositions containing them and their anti-inflammatory and ulcer protective activity WARNER-LAMBERT COMPANY (US) 1985-05-14 US disclosed
US-4477681-A PHOTOPOLYMERIZATION AND HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 US disclosed
EP-0091045-A1 2-Pyrroline-3-carbonitrile derivatives, process for their preparation and medicines containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1983-10-12 EP disclosed
US-4167566-A Antithrombotic 2-prenyl-3-oxo-5,6-diaryl-as-triazenes PIERRE FABRE, S.A. (FR) 1979-09-11 US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 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-20110306743-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD CDKL1, CDKL2, CDK4 RAB9A 2725/4885HPGD 1037/4885NPC1 4885/4885

“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.