SCHEMBL4449299

SCHEMBL4449299

Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 3/20 0.44
HTT P42858 2/20 0.44
GALR3 O60755 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPY1R P25929 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4922992 0.84 ALDH1A1 (0.49) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL11930692 0.82 ALDH1A1 (0.57) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL1134848 0.82 ALDH1A1 (0.47) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL29445379 0.82 ALDH1A1 (0.47) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4920981 0.82 CHRM3 (0.48) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4918689 0.82 CHRM3 (0.50) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4446444 0.81 CYP1A2 (0.46) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4453566 0.81 CYP1A2 (0.48) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4448831 0.80 ATM (0.59) CHRM3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL27728450 0.80 NR3C1 (0.53) ALDH1A1HPGDMAPTSMN1; SMN2LMNA

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 222/4885ALDH1A1 4489/4885HPGD 3433/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 CHRM3 766/4885ALDH1A1 1177/4885HPGD 3841/4885

“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.