SCHEMBL5068149

SCHEMBL5068149

O=C(OCCF)c1ccc(OCCF)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.45
THRA P10827 1/20 0.45
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
HTR2C P28335 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL5063442 0.84 SMN1; SMN2 (0.49) THRBTHRAPOLBKMT2AALDH1A1
SCHEMBL5063455 0.84 THRB (0.47) THRBTHRAPOLBKMT2AALDH1A1
SCHEMBL4689621 0.83 PARP1 (0.46) THRBTHRAKMT2AALDH1A1KDM4E
SCHEMBL6305959 0.82 THRB (0.57) THRBTHRACHRM2CHRM3MAOA
SCHEMBL21707983 0.79 ALDH1A1 (0.49) POLBSLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL4831046 0.76 KDM4E (0.47) THRBTHRAMAOASLC6A3ALDH1A1
SCHEMBL21818348 0.75 ALDH1A1 (0.49) POLBALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4843634 0.75 ALDH1A1 (0.46) THRBTHRAMAOAALDH1A1KDM4E
SCHEMBL21707917 0.74 MAPT (0.44) KMT2AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10951452 0.74 THRB (0.48) THRBTHRAPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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 (1 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 THRB 699/4885THRA 769/4885POLB 4319/4885

“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.