SCHEMBL5478602

SCHEMBL5478602

Nc1cc(C(=O)N(CC(F)(F)F)c2ccccc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.51
ADRA2C P18825 1/20 0.40
MLYCD O95822 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1I2 O75469 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 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
SCHEMBL4111567 0.82 MEN1 (0.52) ADRA2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20681717 0.79 RORC (0.60) RORCADRA2CMLYCDNR1I2ALDH1A1
SCHEMBL4354144 0.71 RORC (0.53) RORCMLYCDNR1I2ALDH1A1MEN1
SCHEMBL5461818 0.71 NPEPPS (0.40) RORCALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18585779 0.68 RORC (0.44) RORCMLYCDGPBAR1ALDH1A1KMT2A
SCHEMBL549070 0.65 RORC (0.44) RORCMLYCDGPBAR1ALDH1A1MEN1
SCHEMBL17165741 0.63 ALDH1A1 (0.48) RORCNR1I2ALDH1A1MEN1KMT2A
SCHEMBL4104377 0.62 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16418398 0.60 PKM (0.53) RORCADRA2CMLYCDALDH1A1MEN1
SCHEMBL28097397 0.59 RORC (0.41) RORCMLYCDNR1I2ALDH1A1MEN1

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 RORC 450/4885ADRA2C 348/4885MLYCD 4358/4885

“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.