SCHEMBL6801943

SCHEMBL6801943

COc1ccc(CCNC(=O)/C(=C\OC(F)F)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 2/20 0.51
GRK2 P25098 1/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HPGD P15428 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL6801944 1.00 ALDH1A1 (0.58) ALDH1A1MAPTPOLBGRK2GAA
SCHEMBL6796850 0.91 ALDH1A1 (0.62) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL6801546 0.91 MAPT (0.58) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL6801543 0.91 MAPT (0.58) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL6796855 0.91 ALDH1A1 (0.62) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL6802680 0.90 GAA (0.64) ALDH1A1MAPTGAASMN1; SMN2CA12
SCHEMBL6802677 0.90 GAA (0.64) ALDH1A1MAPTGAASMN1; SMN2CA12
SCHEMBL6796102 0.89 ALDH1A1 (0.66) ALDH1A1MAPTGAASMN1; SMN2CA12
SCHEMBL6796103 0.89 ALDH1A1 (0.66) ALDH1A1MAPTGAASMN1; SMN2CA12
SCHEMBL6802548 0.88 GAA (0.51) ALDH1A1MAPTGAASMN1; SMN2CA12

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-6762321-B2 SUCH AS N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-DIFLUOROMETHOXY-2-(4 -METHYLPHENYL)ACRYLAMIDE; FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030195354-A1 Amide compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-16 US disclosed
EP-1295868-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-26 EP 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 (1 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-20030195354-A1 Amide compounds and use thereof CBR1, CBR3, NAT1 ALDH1A1 244/4885MAPT 3676/4885POLB 4083/4885

“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.