SCHEMBL4095614

SCHEMBL4095614

Cn1cc(C(=O)Nc2ccccc2-c2ccc(CF)cc2)c(C(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NTRK1 P04629 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
IRAK4 Q9NWZ3 7/20 0.41
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
SCHEMBL1145015 0.90 ATM (0.46) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL20875262 0.90 NTRK1 (0.52) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL1085490 0.90 ALDH1A1 (0.50) ATMALDH1A1L3MBTL1LMNAHTT
SCHEMBL10060307 0.89 LMNA (0.50) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL29419144 0.88 TDP1 (0.53) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL1134831 0.88 ATM (0.49) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL121957 0.88 TDP1 (0.53) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL527999 0.86 ATM (0.45) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL10061459 0.86 NTRK1 (0.48) ATMALDH1A1L3MBTL1NTRK1LMNA
SCHEMBL29419096 0.86 NTRK1 (0.56) ATMALDH1A1NTRK1LMNAHTT

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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGESSELLSCHFT (DE) 2009-08-13 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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides CTRL, CYP4X1, SNU13 ATM 4051/4885ALDH1A1 2203/4885L3MBTL1 683/4885

“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.