SCHEMBL1649302

SCHEMBL1649302

C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.55
FFAR1 O14842 1/20 0.52
GRM5 P41594 5/20 0.50
PIK3CA P42336 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
PDK1 Q15118 1/20 0.45
APP P05067 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CHRM2 P08172 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL1820120 0.97 HDAC8 (0.58) HDAC8FFAR1GRM5PIK3CAMTOR
SCHEMBL9610040 0.91 MAPT (0.53) HDAC8FFAR1GRM5PIK3CAMTOR
SCHEMBL17224548 0.89 APP (0.63) HDAC8FFAR1GRM5PIK3CAMTOR
SCHEMBL13219274 0.89 MAPT (0.58) HDAC8FFAR1GRM5PIK3CAMTOR
SCHEMBL13907339 0.88 HDAC8 (0.50) HDAC8FFAR1GRM5PIK3CAMTOR
Methyl Alcohol SCHEMBL28280712 0.88 GRM5 (0.52) HDAC8FFAR1GRM5PIK3CAMTOR
SCHEMBL13907329 0.88 HDAC8 (0.50) HDAC8FFAR1GRM5PIK3CAMTOR
SCHEMBL14061509 0.87 CYP11B2 (0.45) HDAC8FFAR1GRM5
SCHEMBL2527326 0.87 USP2 (0.45) HDAC8FFAR1GRM5
SCHEMBL2526701 0.87 CYP19A1 (0.48) HDAC8FFAR1GRM5LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12636634-B2 Fluorinated MOF materials having rectangular channels, method of synthesizing MOF materials and methods of using MOF materials including for CO2 capture KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2026-05-26 US claimed
US-20240316530-A1 FLUORINATED MOF MATERIALS HAVING RECTANGULAR CHANNELS, METHOD OF SYNTHESIZING MOF MATERIALS AND METHODS OF USING MOF MATERIALS INCLUDING FOR CO2 CAPTURE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2024-09-26 US claimed
WO-2024196666-A1 FLUORINATED MOF MATERIALS HAVING RECTANGULAR CHANNELS, METHOD OF SYNTHESIZING MOF MATERIALS AND METHODS OF USING MOF MATERIALS INCLUDING FOR CO2 CAPTURE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2024-09-26 WO claimed
CN-116589508-A Rectangular molecular macrocyclic compound based on half-sandwich rhodium building unit, and preparation method and application thereof 洛阳师范学院 2023-08-15 CN claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US claimed
US-12636634-B2 Fluorinated MOF materials having rectangular channels, method of synthesizing MOF materials and methods of using MOF materials including for CO2 capture KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2026-05-26 US disclosed
US-20240316530-A1 FLUORINATED MOF MATERIALS HAVING RECTANGULAR CHANNELS, METHOD OF SYNTHESIZING MOF MATERIALS AND METHODS OF USING MOF MATERIALS INCLUDING FOR CO2 CAPTURE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2024-09-26 US disclosed
WO-2024196666-A1 FLUORINATED MOF MATERIALS HAVING RECTANGULAR CHANNELS, METHOD OF SYNTHESIZING MOF MATERIALS AND METHODS OF USING MOF MATERIALS INCLUDING FOR CO2 CAPTURE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2024-09-26 WO disclosed
CN-116589508-A Rectangular molecular macrocyclic compound based on half-sandwich rhodium building unit, and preparation method and application thereof 洛阳师范学院 2023-08-15 CN disclosed
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
EP-3411140-B1 METHOD FOR SEPARATING ACETYLENE FROM A GAS MIXTURE UNIV LIMERICK (IE) 2021-08-18 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7825248-B2 Synthetic nanopores for DNA sequencing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-11-02 US disclosed
US-7767213-B2 Synthetic nanopores for DNA sequencing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-08-03 US disclosed
US-20090131669-A1 Synthetic Nanopores for DNA Sequencing THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-21 US disclosed
US-20090131642-A1 Synthetic Nanopores for DNA Sequencing THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS PREPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-21 US disclosed
US-7504505-B2 Synthetic nanopores for DNA sequencing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-17 US disclosed
US-20070059356-A1 Pharmaceutical co-crystal compositions of drugs such as carbamazepine, celecoxib, olanzapine, itraconazole, topiramate, modafinil, 5-fluorouracil, hydrochlorothiazide, acetaminophen, aspirin, flurbiprofen, phenytoin and ibuprofen REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2007-03-15 US disclosed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 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 (3 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-20090131669-A1 Synthetic Nanopores for DNA Sequencing POLN, POLRMT, PARN HDAC8 2801/4885FFAR1 4737/4885GRM5 2355/4885
US-12636634-B2 Fluorinated MOF materials having rectangular channels, method of synthesizing MOF materials and methods of using MOF materials including for CO2 capture MLX, BMP4, F13B HDAC8 2881/4885FFAR1 1584/4885GRM5 1915/4885
US-20090131642-A1 Synthetic Nanopores for DNA Sequencing POLN, POLRMT, PARN HDAC8 2801/4885FFAR1 4737/4885GRM5 2355/4885

“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.