SCHEMBL1757597

SCHEMBL1757597

Cc1[nH]c2ccc(F)cc2c1-c1ccc(Cl)nn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
MAP3K14 Q99558 2/20 0.42
KIF11 P52732 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.37
EIF2AK2 P19525 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL1758180 0.86 LMNA (0.69) LMNAHTR6MAP3K14KDM4EALDH1A1
SCHEMBL1757734 0.86 LMNA (0.69) LMNAHTR2AHTR2CHTR7HTR6
SCHEMBL1758342 0.81 LMNA (0.63) LMNAHTR7HTR6KDM4EALDH1A1
SCHEMBL1758455 0.80 LMNA (1.00) LMNAHTR2AHTR2CHTR6KDM4E
SCHEMBL31105587 0.77 MAP3K14 (0.60) HTR2AHTR2CHTR7HTR6MAP3K14
SCHEMBL1758107 0.75 LMNA (0.55) LMNAMAP3K14EIF2AK2MEN1KMT2A
SCHEMBL1757865 0.75 LMNA (0.48) LMNAMAPT
SCHEMBL1759308 0.74 KEAP1 (0.46) LMNAHTR2AHTR2CHTR7HTR6
SCHEMBL1757795 0.72 HTR2A (0.43) LMNAHTR2AHTR2CHTR7HTR6
SCHEMBL2961347 0.72 PTGDR2 (0.44) LMNAHTR2AHTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 LMNA 4342/4885HTR2A 59/4885HTR2C 146/4885

“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.