SCHEMBL19736764

SCHEMBL19736764

Cc1cc(N)c(C(O)CCCN)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NOS2 P35228 1/20 0.33
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19736663 0.90 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19736660 0.82 MAPT (0.40) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19736758 0.77 NOS2 (0.34) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19736756 0.77 KDM4E (0.33) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19737030 0.76 HTR2A (0.31) HTR2AHRH1
SCHEMBL19736886 0.75 KDM4E (0.32) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL15801329 0.72 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19736760 0.69 KDM4E (0.33) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19736885 0.68 KDM4E (0.32) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL19737020 0.68 NOS2 (0.36) ALDH1A1KDM4ELMNAGAAMAPT

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-11345653-B2 Compositions and methods for reactivating cholinesterases THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE INC. (US) 2022-05-31 US disclosed
US-20190345097-A1 Compositions and Methods for Reactivating Cholinesterases The Henry M. Jackson Foundation for the Advancemen t of Military Medicine, Inc. (US) 2019-11-14 US disclosed
WO-2017218886-A1 COMPOSITIONS AND METHODS FOR REACTIVATING CHOLINESTERASES THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2017-12-21 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 (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-11345653-B2 Compositions and methods for reactivating cholinesterases ACHE, BCHE, CHAT ALDH1A1 735/4885KDM4E 409/4885LMNA 2251/4885
US-20190345097-A1 Compositions and Methods for Reactivating Cholinesterases ACHE, BCHE, CHAT ALDH1A1 735/4885KDM4E 409/4885LMNA 2251/4885

“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.