SCHEMBL900869

SCHEMBL900869

Cc1ccc(F)c(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GRIN1 Q05586 6/20 0.42
GRIN2B Q13224 6/20 0.42
RXRA P19793 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ACHE P22303 1/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 2/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL879131 0.83 ACHE (0.40) ALDH1A1SMN1; SMN2ACHEHTR1ASLC6A2
SCHEMBL10052629 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14345864 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10821843 0.81 ALDH1A1 (0.46) ALDH1A1GRIN1GRIN2BRXRASMN1; SMN2
SCHEMBL14525531 0.80 CYP2A6 (0.45) ALDH1A1GRIN1GRIN2BRXRASMN1; SMN2
SCHEMBL28043602 0.78 GRIN2B (0.40) ALDH1A1GRIN1GRIN2BRXRASMN1; SMN2
SCHEMBL900483 0.78 MEN1 (0.52) ALDH1A1GRIN1GRIN2BRXRASMN1; SMN2
SCHEMBL7682113 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15133865 0.78 ACHE (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15173401 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2021263205-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-12-30 WO disclosed
WO-2020249796-A1 PYRAZINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
WO-2020249799-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
WO-2020249792-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
WO-2017006282-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2017-01-12 WO disclosed
WO-2017006270-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 WO disclosed
WO-2017006271-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CONTAINING AMINO SULFONYL LINKAGE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 WO disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed
US-7355053-B2 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2008-04-08 US disclosed
US-7355053-B2 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2008-04-08 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885GRIN1 4616/4885GRIN2B 4652/4885
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 ALDH1A1 208/4885GRIN1 1393/4885GRIN2B 1503/4885

“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.