SCHEMBL3547306

SCHEMBL3547306

Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NTRK1 P04629 1/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
CHRM3 P20309 1/20 0.46
LMNA P02545 2/20 0.45
NR3C1 P04150 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL11930692 0.88 ALDH1A1 (0.57) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL27728450 0.85 NR3C1 (0.53) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4920981 0.83 CHRM3 (0.48) MEN1KMT2AALDH1A1HPGDCHRM3
SCHEMBL4922992 0.82 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDCHRM3
SCHEMBL4918689 0.82 CHRM3 (0.50) MEN1KMT2AALDH1A1HPGDCHRM3
SCHEMBL1134832 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDCHRM3
SCHEMBL1085555 0.81 LMNA (0.61) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL3540095 0.81 CHRM3 (0.46) MEN1KMT2ANTRK1ABCG2ALDH1A1
SCHEMBL3540046 0.81 ABCG2 (0.45) MEN1KMT2ANTRK1ABCG2ALDH1A1
SCHEMBL9979664 0.80 LMNA (0.45) MEN1KMT2AABCG2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799334-B2 Pyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2010-09-21 US claimed
US-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGESSELLSCHFT (DE) 2009-08-13 US claimed
US-20090036305-A1 PYRAZOLECARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-02-05 US claimed
CN-101175727-A Pyrazole carboxamides as fungicides BASF AG (DE) 2008-05-07 CN claimed
US-7799334-B2 Pyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2010-09-21 US disclosed
US-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGESSELLSCHFT (DE) 2009-08-13 US disclosed
US-20090036305-A1 PYRAZOLECARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-02-05 US disclosed
CN-101175727-A Pyrazole carboxamides as fungicides BASF AG (DE) 2008-05-07 CN 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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides CTRL, CYP4X1, SNU13 MEN1 792/4885KMT2A 1745/4885NTRK1 3524/4885
US-20090036305-A1 PYRAZOLECARBOXAMIDES CBR3, CBR1, CYC1 MEN1 2257/4885KMT2A 1627/4885NTRK1 3863/4885

“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.