SCHEMBL4451528

SCHEMBL4451528

Cn1cc(C(=O)Nc2ccccc2-c2ccc(F)cc2F)c(CF)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.48
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.43
NTRK1 P04629 2/20 0.42
BCL3 P20749 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
FSCN1 Q16658 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
SCHEMBL17374921 0.91 NPC1 (0.43) CHRM3ATMMAPTKMT2AALDH1A1
SCHEMBL4447437 0.90 KCNMA1 (0.46) CHRM3ATMNTRK1KMT2APOLB
SCHEMBL4445782 0.90 ATM (0.44) CHRM3ATMMAPTTP53NTRK1
SCHEMBL29445376 0.89 ATM (0.47) CHRM3ATMMAPTNTRK1KMT2A
SCHEMBL4456087 0.89 ATM (0.59) CHRM3ATMMAPTTP53NTRK1
SCHEMBL1085668 0.89 ATM (0.47) CHRM3ATMMAPTNTRK1KMT2A
SCHEMBL1085711 0.86 ATM (0.46) CHRM3ATMNTRK1THRBKMT2A
SCHEMBL4159066 0.85 CHRM3 (0.48) CHRM3ATMMAPTTP53NTRK1
SCHEMBL302442 0.85 CHRM3 (0.48) CHRM3ATMMAPTTP53NTRK1
SCHEMBL4451470 0.85 ATM (0.47) CHRM3ATMMAPTNTRK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US claimed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 US claimed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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 (2 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 2473/4885MAPT 4417/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 CHRM3 766/4885ATM 4775/4885MAPT 4705/4885

“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.