SCHEMBL5119902

SCHEMBL5119902

CO/N=C/c1ccc(-c2ccccc2NC(=O)c2c(C)nn(C)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
CHRM3 P20309 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5119905 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL14266456 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL14266453 0.90 L3MBTL1 (0.36) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14266429 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL14266437 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL14266379 0.90 CYP1A2 (0.41) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL14266448 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL14266439 0.89 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL14266450 0.89 NPC1 (0.36) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL14266438 0.89 CYP1A2 (0.44) MEN1KMT2ALMNACHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348350-B2 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms BAYER CROPSCIENCE AG (DE) 2008-03-25 US disclosed
US-7348350-B2 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms BAYER CROPSCIENCE AG (DE) 2008-03-25 US disclosed
US-7348350-B2 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms BAYER CROPSCIENCE AG (DE) 2008-03-25 US disclosed
US-6992098-B2 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms BAYER CROPSCIENCE AG (DE) 2006-01-31 US disclosed
US-20050182120-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms ELBE HANS-LUDWIG (DE) 2005-08-18 US disclosed
US-20040053971-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms BAYER CROPSCIENCE AG (DE) 2004-03-18 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-20040053971-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms MRPL21, Q6ZSR9, MRM1 ALDH1A1 967/4885MEN1 1530/4885KMT2A 1141/4885
US-20050182120-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms DDT, MRPL21, DCXR ALDH1A1 948/4885MEN1 1903/4885KMT2A 784/4885

“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.