SCHEMBL96246

SCHEMBL96246

[CH2]CCCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.60
HRH3 Q9Y5N1 3/20 0.52
CYP1A2 P05177 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2C19 P33261 2/20 0.51
HRH4 Q9H3N8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NAAA Q02083 1/20 0.50
LMNA P02545 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.45
LIN28A Q9H9Z2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL498506 0.94 HRH1 (0.63) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL7878429 0.92 HRH1 (0.67) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL498601 0.92 HRH1 (0.67) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL16288588 0.92 HRH1 (0.67) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL2167104 0.92 HRH1 (0.67) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL2167965 0.92 HRH1 (0.67) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL8499503 0.92 HRH1 (0.67) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL56199 0.86
SCHEMBL231470 0.86 HRH1 (0.69) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19
SCHEMBL29485637 0.86 HRH1 (0.69) HRH1HRH3CYP1A2SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US claimed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP claimed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US claimed
JP-2004503604-A 2004-02-05 JP claimed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP claimed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-20240239745-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-07-18 US disclosed
EP-4383238-A2 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE Mitsubishi Chemical Corporation (JP) 2024-06-12 EP disclosed
EP-3719028-B1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING SAID COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAID COMPOUND, DISPLAY DEVICE AND ILLUMINATION DEVICE MITSUBISHI CHEM CORP (JP) 2024-06-12 EP disclosed
CN-113853381-B Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device and lighting device 三菱化学株式会社 2024-06-11 CN disclosed
EP-4375280-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-05-29 EP disclosed
EP-4371985-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-05-22 EP disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
EP-0002210-A1 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds MERCK & CO. INC. (US) 1979-06-13 EP disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 US disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4120957-A ANTHELMINTICS ROHM AND HAAS COMPANY (US) 1978-10-17 US disclosed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 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 (2 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-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A HRH1 1315/4885HRH3 1047/4885CYP1A2 2230/4885
US-20240239745-A1 METHOD FOR SYNTHESIZING BILIRUBIN CYP7A1, UGT1A3, UGT1A1 HRH1 4219/4885HRH3 4614/4885CYP1A2 21/4885

“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.