SCHEMBL324969

SCHEMBL324969

[C-]#[N+]c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CYP2A6 P11509 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
MMP3 P08254 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA1 P00915 3/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
KIF11 P52732 2/20 0.37
FBP1 P09467 1/20 0.36

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
SCHEMBL13019484 0.93 MMP3 (0.52) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL10300064 0.93 CA2 (0.41) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL8974055 0.93 MMP3 (0.52) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL8773276 0.93 MMP3 (0.52) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL1629892 0.89 FBP1 (0.47) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL1630803 0.89 FBP1 (0.47) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL13037674 0.87 CYP2A6 (0.38) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL13403830 0.87 CYP19A1 (0.52) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL13037668 0.87 MMP3 (0.47) CA2CYP2A6CA9ALDH1A1CA12
SCHEMBL12023673 0.87 DHODH (0.42) CA2CYP2A6CA9ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO claimed
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
US-20240023356-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-11864400-B2 Organic light-emitting device and electronic apparatus including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-02 US disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2023-08-29 US disclosed
US-11700768-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-07-11 US disclosed
US-20230200235-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20230183171-A1 PREPARATION OF SUBSTITUTED 4-(N'-HYDROXYCARBAMIMIDOYL)BENZOIC ACIDS BASF CHEMICALS INDIA PVT. LTD. (IN) 2023-06-15 US disclosed
US-20230189643-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20090075097-A1 PROCESS FOR PREPARING A FILM HAVING ALTERNATING MONOLAYERS OF A METAL-METAL BONDED COMPLEX MONOLAYER AND AN ORGANIC MONOLAYER BY LAYER-BY LAYER GROWTH INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-03-19 US disclosed
US-20080278069-A1 Light Emitting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-11-13 US disclosed
US-20080275191-A1 polyamines used as curing agents and as polymerization catalysts or chain extenders in urethane applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-11-06 US disclosed
US-7445815-B2 Process for preparing a film having alternating monolayers of a metal-metal bonded complex monolayer and an organic monolayer by layer-by layer growth INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-11-04 US disclosed
WO-2008121602-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
US-7372076-B2 Light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-05-13 US disclosed
US-20080012010-A1 ORGANIC ELECTRONIC DEVICE, METHOD FOR PRODUCTION THEREOF, AND ORGANIC SEMICONDUCTOR MOLECULE SONY CORPORATION (JP) 2008-01-17 US disclosed
US-20070148441-A1 PROCESS FOR PREPARING A THIN FILM HAVING ALTERNATING MONOLAYERS OF A METAL-METAL BONDED COMPLEX MONOLAYER AND AN ORGANIC MONOLAYER BY LAYER-BY LAYER COMPLEX INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-06-28 US disclosed
US-20070063196-A1 Light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-03-22 US disclosed
US-7189433-B2 Process for preparing a film having alternatively monolayers of a metal-metal bonded complex monolayer and an organic monolayer by layer-by layer growth INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-03-13 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 (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-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 CA2 1150/4885CYP2A6 3531/4885CA9 1124/4885
US-11700768-B2 Compound and organic light emitting device comprising the same ARL1, ARRB1, CRY1 CA2 2223/4885CYP2A6 1791/4885CA9 3252/4885
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device L1CAM, CCNL2, CTNND1 CA2 1150/4885CYP2A6 3531/4885CA9 1124/4885
US-20230183171-A1 PREPARATION OF SUBSTITUTED 4-(N'-HYDROXYCARBAMIMIDOYL)BENZOIC ACIDS PAH, HAAO, HNMT CA2 115/4885CYP2A6 298/4885CA9 175/4885

“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.