SCHEMBL19698080

SCHEMBL19698080

CC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP11B2 P19099 1/20 0.38
NOTUM Q6P988 4/20 0.38
OPRM1 P35372 3/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RPA1 P27694 1/20 0.36
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
AKR1C3 P42330 1/20 0.34
KIF11 P52732 1/20 0.34
GRM5 P41594 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MARS1 P56192 1/20 0.34

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
SCHEMBL29686790 0.91 LMNA (0.45) LMNACYP11B2NOTUMOPRM1OPRD1
SCHEMBL135365 0.91 LMNA (0.45) LMNACYP11B2NOTUMOPRM1OPRD1
SCHEMBL471146 0.91 LMNA (0.45) LMNACYP11B2NOTUMOPRM1OPRD1
Butane SCHEMBL677651 0.87 LMNA (0.42) LMNACYP11B2NOTUMOPRM1OPRD1
Butane SCHEMBL20916981 0.87 LMNA (0.42) LMNACYP11B2NOTUMOPRM1OPRD1
SCHEMBL3665939 0.84 GABRA2 (0.47) ALDH1A1KDM4EGABRA2GABRB2MEN1
SCHEMBL30684851 0.84 GABRA2 (0.47) ALDH1A1KDM4EGABRA2GABRB2MEN1
Paraquat SCHEMBL2373860 0.81 LMNA (0.38) LMNACYP11B2NOTUMOPRM1OPRD1
SCHEMBL6061258 0.78 GABRA2 (0.42) LMNAALDH1A1KDM4EGABRA2GABRB2
Dcmu SCHEMBL2372306 0.78 APEX1 (0.50) LMNAOPRM1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354146-A1 SAFENING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-5-FLUOROPYRIDINE-2-CARBOXYLIC ACID COMPOSITIONS IN BRASSICA SPECIES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2017-12-14 US disclosed
US-20170354148-A1 SAFENED HERBICIDAL COMPOSITIONS CONTAINING HALAUXIFEN AND METHODS OF USE THEREOF IN BRASSICA SPECIES DOW AGROSCIENCES LLC (US) 2017-12-14 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-20170354148-A1 SAFENED HERBICIDAL COMPOSITIONS CONTAINING HALAUXIFEN AND METHODS OF USE THEREOF IN BRASSICA SPECIES HACL2, BROX, HDHD5 LMNA 3126/4885CYP11B2 1038/4885NOTUM 8/4885
US-20170354146-A1 SAFENING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-5-FLUOROPYRIDINE-2-CARBOXYLIC ACID COMPOSITIONS IN BRASSICA SPECIES AND METHODS OF USE THEREOF CIP2A, CASP2, BROX LMNA 4612/4885CYP11B2 2633/4885NOTUM 107/4885

“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.