SCHEMBL974928

SCHEMBL974928

O=C(O)c1ccc(CBr)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
CYP1A2 P05177 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.36
DCLRE1B Q9H816 2/20 0.36
ALOX15 P16050 1/20 0.36
ALB P02768 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
KEAP1 Q14145 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
TSHR P16473 2/20 0.33
DCLRE1A Q6PJP8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL27985451 0.86 KDM4E (0.38) KDM4EASPHKDM8CYP1A2CES2
SCHEMBL19331448 0.85 MYC (0.36) KDM4EASPHKDM8CYP1A2ALDH1A1
SCHEMBL16034183 0.85 KDM4E (0.37) KDM4EASPHKDM8CYP1A2ALDH1A1
SCHEMBL1646172 0.84 MRGPRX4 (0.48) CES2CES1ALDH1A1ALOX15ALB
SCHEMBL542766 0.83 KDM4E (0.41) KDM4EASPHKDM8CYP1A2CES2
SCHEMBL5248959 0.83 GABRP (0.42) KDM4EASPHKDM8CYP1A2CES2
SCHEMBL1713540 0.82 CYP1A2 (0.58) KDM4EASPHKDM8CYP1A2CES2
SCHEMBL30548341 0.82 CYP1A2 (0.58) KDM4EASPHKDM8CYP1A2CES2
SCHEMBL8152102 0.82 AKR1B1 (0.41) KDM4EASPHKDM8CYP1A2CES2
SCHEMBL9406148 0.79 RARB (0.41) KDM4EASPHKDM8CYP1A2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872247-A Xofluza sulfur-containing heterocyclic compound, intermediate thereof and preparation method 上海复星星泰医药科技有限公司 2020-03-10 CN disclosed
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 EP disclosed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 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 (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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA KDM4E 3352/4885ASPH 3160/4885KDM8 3862/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 KDM4E 4459/4885ASPH 3686/4885KDM8 3690/4885

“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.