SCHEMBL3025986

SCHEMBL3025986

C/C(=N/OCC=C(Cl)Cl)c1ccc(-c2ccccc2NC(=O)c2cccnc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 7/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3025988 1.00 TDP1 (0.58) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL14578172 0.89 TDP1 (0.65) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL14578388 0.86 TDP1 (0.61) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL14578387 0.86 TDP1 (0.69) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL14578382 0.83 TDP1 (0.64) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6253552 0.82 TDP1 (0.58) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3026126 0.82 ATM (0.47) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3026122 0.82 ATM (0.47) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL13215256 0.82 ATM (0.47) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3026081 0.80 TDP1 (0.78) TDP1ALDH1A1HPGDKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572663-B1 BIPHENYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-03-20 EP disclosed
EP-1572663-B1 BIPHENYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-03-20 EP disclosed
US-20100216849-A1 BIPHENYLCARBOXAMIDES DUNKEL RALF 2010-08-26 US disclosed
US-20100216849-A1 BIPHENYLCARBOXAMIDES DUNKEL RALF 2010-08-26 US disclosed
US-20100216849-A1 BIPHENYLCARBOXAMIDES DUNKEL RALF 2010-08-26 US disclosed
US-7728019-B2 Biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2010-06-01 US disclosed
US-7728019-B2 Biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2010-06-01 US disclosed
US-7728019-B2 Biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2010-06-01 US disclosed
US-20080085924-A1 Biphenylcaboxamides BAYER CROPSCINCE AG (DE) 2008-04-10 US disclosed
US-20080085924-A1 Biphenylcaboxamides BAYER CROPSCINCE AG (DE) 2008-04-10 US disclosed
US-20080085924-A1 Biphenylcaboxamides BAYER CROPSCINCE AG (DE) 2008-04-10 US disclosed
EP-1572663-A1 BIPHENYLCARBOXAMIDES Bayer CropScience AG (DE) 2005-09-14 EP disclosed
WO-2004054982-A1 BIPHENYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2004-07-01 WO 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-20080085924-A1 Biphenylcaboxamides AHR, Q6ZSR9, DDT TDP1 2966/4885ALDH1A1 415/4885HPGD 4159/4885
US-20100216849-A1 BIPHENYLCARBOXAMIDES AHR, DDT, MRPL21 TDP1 2686/4885ALDH1A1 478/4885HPGD 4051/4885

“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.