SCHEMBL1875229

SCHEMBL1875229

N#Cc1cc(C=CC(=O)O)ccc1-n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 2/20 0.38
AKR1B10 O60218 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
AKR1B1 P15121 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
DPP4 P27487 2/20 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
SCHEMBL1875226 1.00 SLC22A12 (0.46) SLC22A12ALDH1A1KDM4EHSD17B10CYP3A4
SCHEMBL1610377 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL12658705 0.81 ITGB2 (0.45) ALDH1A1KDM4EHSD17B10CYP3A4HPGD
SCHEMBL1609782 0.80 POLB (0.38) ALDH1A1KDM4ECYP3A4CYP2C9POLB
SCHEMBL1609779 0.80 POLB (0.38) ALDH1A1KDM4ECYP3A4CYP2C9POLB
SCHEMBL12536230 0.79 KDM4E (0.40) ALDH1A1KDM4ECYP3A4CYP2C9SMN1; SMN2
SCHEMBL14321468 0.79 KDM4E (0.40) ALDH1A1KDM4ECYP3A4CYP2C9TSHR
SCHEMBL12658707 0.75 S1PR3 (0.42) ALDH1A1S1PR3
SCHEMBL5216721 0.74 SMN1; SMN2 (0.63) ALDH1A1KDM4ECYP3A4MAPK1MEN1
SCHEMBL5475832 0.74 S1PR3 (0.45) ALDH1A1KDM4EMEN1KMT2AS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
US-8710242-B2 Haloalky -substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-04-29 US disclosed
US-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides CRYAA, ACLY, CRYZ SLC22A12 3031/4885ALDH1A1 769/4885KDM4E 1789/4885
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ SLC22A12 3031/4885ALDH1A1 769/4885KDM4E 1789/4885

“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.