SCHEMBL6804281

SCHEMBL6804281

O=C1COc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
KMT2A Q03164 2/20 0.54
APOB P04114 9/20 0.52
MTTP P55157 8/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ROCK2 O75116 1/20 0.48
SMO Q99835 1/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL6796691 0.88 KIF11 (0.50) KIF11KMT2AAPOBMTTPKDM4E
SCHEMBL6805006 0.83 MTTP (0.53) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL24508435 0.83 APOB (0.60) KIF11APOBMTTPKDM4EGAA
SCHEMBL6804954 0.82 MTTP (0.54) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL31423391 0.79 CYP3A4 (0.56) KIF11KMT2ACYP3A4CYP19A1CYP2C9
SCHEMBL30444601 0.78 KMT2A (0.62) KIF11KMT2AALDH1A1MAPTCYP3A4
SCHEMBL6645543 0.76 MTTP (0.61) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL24508865 0.76 CYP2C9 (0.52) KMT2AKDM4EGAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL6803931 0.75 MTTP (0.60) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL4596430 0.75 KIF11 (0.59) KIF11TRPV1

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
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed
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 KIF11 4663/4885KMT2A 1496/4885APOB 1/4885

“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.