SCHEMBL6744852

SCHEMBL6744852

Cc1cccc(I)c1C(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
EGFR P00533 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL4598275 0.87 MEN1 (0.44) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL6745439 0.81 TLR8 (0.45) MEN1KMT2AMAPTPOLBHTT
SCHEMBL2963051 0.81 SMN1; SMN2 (0.36) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL2963439 0.79 KMT2A (0.34) KMT2AMAPTKDM4EPOLBL3MBTL1
SCHEMBL27651311 0.79 KMT2A (0.34) MEN1KMT2AKDM4EPOLBCYP2C19
SCHEMBL28110421 0.79 KDM4E (0.41) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL18131339 0.79 CES2 (0.44) MEN1KMT2AMAPTPOLBHTT
SCHEMBL4919855 0.79 TYK2 (0.55) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL6746948 0.76 KMT2A (0.49) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL1261349 0.76 HTT (0.63) MEN1KMT2AMAPTKDM4EPOLB

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-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC MEN1 4377/4885KMT2A 1800/4885MAPT 1623/4885

“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.