SCHEMBL26679679

SCHEMBL26679679

CC(C)(C)OC(=O)Cn1nc(I)c2cc(Br)cc([N+](=O)[O-])c21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
FBP1 P09467 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30
MET P08581 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL26679676 0.86 ALDH1A1 (0.33) ALDH1A1MEN1MAPTKMT2AFBP1
SCHEMBL23629645 0.84 FBP1 (0.44) ALDH1A1MEN1MAPTKMT2AFBP1
SCHEMBL25930237 0.83 KDM4E (0.36) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL25930266 0.83 KDM4E (0.36) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL28880706 0.81 HDAC6 (0.35) ALDH1A1KDM4EPKMJAK2JAK1
SCHEMBL25930787 0.79 HDAC6 (0.34) ALDH1A1KDM4EJAK2JAK1JAK3
SCHEMBL18953595 0.75 KDM4E (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL29855453 0.75 KRAS (0.31) ALDH1A1KDM4E
SCHEMBL20589207 0.74 CNR2 (0.42) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL29868622 0.73 KDM4E (0.41) ALDH1A1KDM4EJAK2JAK1JAK3

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
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-12-01 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 (2 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-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 4659/4885MEN1 108/4885MAPT 3007/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ALDH1A1 4659/4885MEN1 108/4885MAPT 3007/4885

“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.