SCHEMBL4053993

SCHEMBL4053993

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
HTT P42858 2/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 1/20 0.57
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.54
KDR P35968 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL4053608 0.88 EPHX2 (0.61) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL22879093 0.87 MAPT (0.59) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL19678085 0.84 KIT (0.56) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL30101230 0.82 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL5597699 0.82 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL10220635 0.81 CCR2 (0.74) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL4548162 0.80 KMT2A (0.87) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL19668006 0.79 KDR (0.70) KMT2AMEN1HTTNPSR1KDR
SCHEMBL30412355 0.79 KDR (0.70) KMT2AMEN1HTTNPSR1KDR
SCHEMBL17664317 0.77 KMT2A (0.81) MAPTKMT2AMEN1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-12187696-B2 Urea motif containing compounds and derivatives thereof as antibacterial drugs Technische Universität München (DE) 2025-01-07 US disclosed
EP-3464260-B1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS UNIV MUENCHEN TECH (DE) 2021-10-27 EP disclosed
EP-3464260-B1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS UNIV MUENCHEN TECH (DE) 2021-10-27 EP disclosed
US-20210009550-A1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2021-01-14 US disclosed
EP-3464260-A2 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2019-04-10 EP disclosed
WO-2017207556-A2 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2017-12-07 WO disclosed
WO-2017207556-A2 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2017-12-07 WO disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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-20210009550-A1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS UMPS, UNG, UFM1 MAPT 1892/4885KMT2A 1925/4885MEN1 3155/4885
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H MAPT 4061/4885KMT2A 2360/4885MEN1 4465/4885
US-12187696-B2 Urea motif containing compounds and derivatives thereof as antibacterial drugs UMPS, UNG, UFM1 MAPT 1892/4885KMT2A 1925/4885MEN1 3155/4885

“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.