SCHEMBL4920171

SCHEMBL4920171

Cn1cc(C(=O)Nc2ccccc2-c2ccc(F)c(F)c2)c(CF)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.48
ATM Q13315 1/20 0.46
NTRK1 P04629 2/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 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
SCHEMBL4915627 0.91 ATM (0.43) CHRM3ATMNTRK1MAPTHTT
SCHEMBL2346206 0.91 CHRM3 (0.51) CHRM3ATMNTRK1TDP1
SCHEMBL29445377 0.90 CHRM3 (0.47) CHRM3ATMNTRK1MAPTHTT
SCHEMBL1085544 0.90 CHRM3 (0.47) CHRM3ATMNTRK1MAPTHTT
SCHEMBL4920642 0.89 ATM (0.59) CHRM3ATMNTRK1MAPTTHRB
SCHEMBL4159066 0.87 CHRM3 (0.48) CHRM3ATMNTRK1MAPTHTT
SCHEMBL29445376 0.87 ATM (0.47) CHRM3ATMNTRK1MAPTHTT
SCHEMBL4451470 0.87 ATM (0.47) CHRM3ATMNTRK1MAPTHTT
SCHEMBL1085668 0.87 ATM (0.47) CHRM3ATMNTRK1MAPTHTT
SCHEMBL1085475 0.87 ALDH1A1 (0.51) ATMMAPTHTTKDM4EALDH1A1

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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 US claimed

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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 CHRM3 222/4885ATM 2473/4885NTRK1 4602/4885

“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.