SCHEMBL378549

SCHEMBL378549

COC(=O)Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK14 Q16539 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
SLC7A5 Q01650 1/20 0.49
CNR1 P21554 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
CETP P11597 3/20 0.47
PDK2 Q15119 1/20 0.47
DGAT2 Q96PD7 1/20 0.46
GLS O94925 1/20 0.46

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
SCHEMBL6205346 0.85 CHRM2 (0.53) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL1869446 0.85 POLB (0.50) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL27772416 0.85 VNN1 (0.50) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL11546048 0.84 CHRM2 (0.51) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL28475012 0.84 VNN1 (0.56) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL23652001 0.84 VNN1 (0.51) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL18920453 0.83 SLC7A5 (0.54) MRGPRX4SMN1; SMN2SLC7A5ROCK2ROCK1
SCHEMBL761677 0.83 MAPK14 (0.54) VNN1MRGPRX4MAPK14CHRM2CHRM1
SCHEMBL378705 0.82 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ACHRM2CHRM1
SCHEMBL31249652 0.82 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-10 EP disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
CN-108349965-A 1,3,4- thiadiazole compounds and its purposes in treating cancer 阿斯利康(瑞典)有限公司 2018-07-31 CN disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
WO-2017093301-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 WO disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
CN-101291669-A Use of azabicyclo hexane derivatives GLAXO GROUP LTD (GB) 2008-10-22 CN disclosed
EP-1917013-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2008-05-07 EP disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 EP disclosed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 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 (5 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-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 VNN1 2635/4885MRGPRX4 675/4885SMN1; SMN2 4810/4885
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLRX3 VNN1 2633/4885MRGPRX4 2080/4885SMN1; SMN2 4479/4885
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLRX3 VNN1 2633/4885MRGPRX4 2080/4885SMN1; SMN2 4479/4885
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 VNN1 146/4885MRGPRX4 2218/4885SMN1; SMN2 305/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT VNN1 4465/4885MRGPRX4 3365/4885SMN1; SMN2 461/4885

“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.