SCHEMBL6805850

SCHEMBL6805850

CN(C)c1ccc(-c2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CASP1 P29466 1/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
DHODH Q02127 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6802096 0.91 NPC1 (0.44) TP53TSHRSMN1; SMN2ALDH1A1CASP1
SCHEMBL809394 0.85 ALDH1A1 (0.59) TP53TSHRSMN1; SMN2ALDH1A1CASP1
SCHEMBL6799120 0.83 HDAC7 (0.49) TSHRSMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL6492374 0.82 DHODH (0.55) TP53TSHRSMN1; SMN2ALDH1A1CASP1
SCHEMBL7554300 0.80 ALDH1A1 (0.57) TP53TSHRSMN1; SMN2ALDH1A1CASP1
SCHEMBL2558658 0.79 AKR1C3 (0.51) TP53TSHRSMN1; SMN2ALDH1A1CASP1
SCHEMBL6804716 0.79 MCL1 (0.46) TSHRSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL6695209 0.79 PRKAB2 (0.53) TP53TSHRSMN1; SMN2ALDH1A1CASP1
SCHEMBL9762624 0.79 MEN1 (0.46) SMN1; SMN2ALDH1A1NPC1MEN1MAPT
SCHEMBL11527291 0.78 SMN1; SMN2 (0.49) TP53TSHRSMN1; SMN2ALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 TP53 4791/4885TSHR 1272/4885SMN1; SMN2 1854/4885

“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.