SCHEMBL4898792

SCHEMBL4898792

O=C(CCl)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.48
HDAC2 Q92769 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL4891667 0.93 HDAC2 (0.47) KIF11HDAC2ALDH1A1HTTSMN1; SMN2
SCHEMBL7388602 0.89 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2KDM4EHDAC1
SCHEMBL4608553 0.84 KIF11 (0.57) KIF11HDAC2ALDH1A1HTTSMN1; SMN2
SCHEMBL4659870 0.77 KIF11 (0.56) KIF11KDM1A
SCHEMBL25334235 0.76 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2NPC1MITF
SCHEMBL5521041 0.75 KIF11 (0.71) KIF11KDM1A
SCHEMBL25037396 0.75 ACHE (0.57) ALDH1A1KDM4EHDAC1HDAC8MEN1
SCHEMBL940712 0.75 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL30965893 0.75 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2KDM4EHDAC1
SCHEMBL25037265 0.75 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2KDM4EHDAC1

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885HDAC2 1216/4885ALDH1A1 2274/4885

“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.