SCHEMBL1924322

SCHEMBL1924322

O=C(CC(=O)C(F)(F)F)c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.64
HTT P42858 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
NPC1 O15118 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
ALOX12 P18054 1/20 0.56
PLOD3 O60568 2/20 0.55
PLOD1 Q02809 2/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL30415795 1.00 PLOD2 (0.64) PLOD2HTTMEN1KMT2AKDM4E
SCHEMBL29987428 0.85 MEN1 (0.72) HTTMEN1KMT2AKDM4EMAPT
SCHEMBL10874718 0.83 HTT (0.50) PLOD2HTTMEN1KMT2AKDM4E
SCHEMBL4255460 0.83 PLOD2 (0.55) PLOD2MEN1KMT2AKDM4EMAPT
SCHEMBL1927100 0.81 ERCC5 (0.61) PLOD2HTTMEN1KMT2AKDM4E
SCHEMBL1346272 0.81 CES2 (0.61) PLOD2MEN1KMT2AMAPTLMNA
SCHEMBL4906913 0.81 PLOD2 (0.54) PLOD2MEN1KMT2AKDM4EMAPT
SCHEMBL1924595 0.81 PLOD2 (0.54) PLOD2HTTMEN1KMT2AKDM4E
SCHEMBL4944399 0.80 MEN1 (0.61) HTTMEN1KMT2AKDM4EMAPT
SCHEMBL28346776 0.80 HPGD (0.71) PLOD2HTTMEN1KMT2AKDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108085490-B Extraction composition and method for enriching lithium 青海恒信融锂业科技有限公司 2020-04-28 CN claimed
CN-108085490-A The method of extracts composition and enriching lithium 青海恒信融锂业科技有限公司 2018-05-29 CN claimed
CN-111303048-B Pyrimidine guanidine compound, and preparation method and application thereof 沈阳农业大学 2023-05-26 CN disclosed
CN-111303048-A Pyrimidine guanidine compound and preparation method and application thereof 沈阳农业大学 2020-06-19 CN disclosed
CN-108085490-B Extraction composition and method for enriching lithium 青海恒信融锂业科技有限公司 2020-04-28 CN disclosed
CN-108085490-B Extraction composition and method for enriching lithium 青海恒信融锂业科技有限公司 2020-04-28 CN disclosed
CN-108085490-A The method of extracts composition and enriching lithium 青海恒信融锂业科技有限公司 2018-05-29 CN disclosed
EP-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2170873-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-04-07 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
WO-2009000662-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 WO disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885HTT 2289/4885MEN1 2567/4885
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES GABRA5, GABRA1, GABRA4 PLOD2 4011/4885HTT 2177/4885MEN1 4422/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885HTT 2289/4885MEN1 2567/4885

“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.