SCHEMBL4909628

SCHEMBL4909628

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.47
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
NTRK1 P04629 2/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4918770 0.92 CHRM3 (0.50) CHRM3NTRK1ATMTDP1SUCNR1
SCHEMBL4793286 0.92 CHRM3 (0.48) CHRM3MAPTTHRBNTRK1ATM
SCHEMBL29390454 0.91 CHRM3 (0.46) CHRM3MAPTNTRK1ATMMEN1
SCHEMBL303175 0.91 CHRM3 (0.46) CHRM3MAPTNTRK1ATMMEN1
SCHEMBL673368 0.89 CHRM3 (0.48) CHRM3ALDH1A1
SCHEMBL4920485 0.89 CHRM3 (0.46) CHRM3MAPTNTRK1ATMTDP1
SCHEMBL4921835 0.89 SSTR2 (0.44) CHRM3MAPTNTRK1ATMTDP1
SCHEMBL16972354 0.88 CHRM3 (0.39) CHRM3MAPTTHRBNTRK1ATM
SCHEMBL16617799 0.88 CHRM3 (0.44) CHRM3MAPTNTRK1ATMMEN1
SCHEMBL29391140 0.88 CHRM3 (0.46) CHRM3NTRK1ATMMEN1KMT2A

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 222/4885MAPT 4417/4885THRB 4030/4885

“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.