SCHEMBL4913373

SCHEMBL4913373

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NTRK1 P04629 3/20 0.45
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
CHRM1 P11229 1/20 0.39
ACLY P53396 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
SCHEMBL4914108 0.94 CHRM3 (0.49) CHRM3LMNAPOLBNTRK1TDP1
SCHEMBL4918647 0.92 NTRK1 (0.47) CHRM3LMNAPOLBNTRK1TDP1
SCHEMBL4914980 0.92 LMNA (0.47) CHRM3LMNAPOLBNTRK1TDP1
SCHEMBL4920459 0.88 LMNA (0.51) CHRM3LMNAPOLBNTRK1TDP1
SCHEMBL1086049 0.87 NTRK1 (0.45) CHRM3LMNAPOLBNTRK1MAPK1
SCHEMBL4919227 0.86 NTRK1 (0.47) CHRM3LMNAPOLBNTRK1TDP1
SCHEMBL2350381 0.86 LMNA (0.47) CHRM3LMNAPOLBNTRK1TDP1
SCHEMBL2346206 0.86 CHRM3 (0.51) CHRM3NTRK1TDP1MAPK1ATM
SCHEMBL10238277 0.86 CHRM3 (0.52) CHRM3LMNANTRK1TDP1ATM
SCHEMBL2341630 0.86 ATM (0.56) CHRM3NTRK1TDP1ATMCHRM1

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 222/4885LMNA 1073/4885POLB 2358/4885

“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.