SCHEMBL4448831

SCHEMBL4448831

Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
NAMPT P43490 1/20 0.46
JAK2 O60674 3/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
LRRK2 Q5S007 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.45
SSTR2 P30874 1/20 0.44

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
SCHEMBL4450127 0.89 ATM (0.57) ATMSMN1; SMN2CHRM3ALDH1A1MAPT
SCHEMBL4443882 0.88 CHRM3 (0.48) ATMSMN1; SMN2CHRM3ALDH1A1MAPT
SCHEMBL121453 0.85 CHRM3 (0.47) ATMCHRM3ALDH1A1MAPTJAK2
SCHEMBL29419079 0.85 CHRM3 (0.47) ATMCHRM3ALDH1A1MAPTJAK2
SCHEMBL302846 0.85 LMNA (0.61) ATMSMN1; SMN2CHRM3ALDH1A1JAK2
SCHEMBL646511 0.85 ATM (0.62) ATMSMN1; SMN2CHRM3ALDH1A1MAPT
SCHEMBL4157143 0.84 ATM (0.59) ATMSMN1; SMN2CHRM3ALDH1A1MAPT
SCHEMBL4445707 0.84 CHRM3 (0.46) ATMSMN1; SMN2CHRM3ALDH1A1MAPT
SCHEMBL4453763 0.84 LMNA (0.52) ATMSMN1; SMN2CHRM3ALDH1A1MAPT
SCHEMBL4443888 0.84 LMNA (0.52) ATMSMN1; SMN2CHRM3ALDH1A1MAPT

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 ATM 2473/4885SMN1; SMN2 4329/4885CHRM3 222/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 ATM 4775/4885SMN1; SMN2 2440/4885CHRM3 766/4885

“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.