SCHEMBL19736660

SCHEMBL19736660

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NOS2 P35228 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 4/20 0.35
CYP3A4 P08684 3/20 0.35
APEX1 P27695 3/20 0.35
RECQL P46063 3/20 0.35
BLM P54132 3/20 0.35
ADRA2A P08913 3/20 0.35
ADRA1A P35348 3/20 0.35
TAAR1 Q96RJ0 3/20 0.35
ADRB2 P07550 2/20 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
SCHEMBL19736663 0.83 ALDH1A1 (0.38) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL19736764 0.82 ALDH1A1 (0.36) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL15801329 0.76 ALDH1A1 (0.35) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL14164522 0.73 BLM (0.47) MAPTALDH1A1KDM4ELMNASLC6A2
SCHEMBL19736675 0.72 TAAR1 (0.33) MAPTKDM4ELMNAHSD17B10ALOX15
SCHEMBL19736678 0.71 NOS2 (0.38) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL21753734 0.70 ALDH1A1 (0.50) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL25162024 0.69 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL19736661 0.68 ALDH1A1 (0.35) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL19736762 0.67 ALDH1A1 (0.34) MAPTALDH1A1KDM4ELMNAGAA

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 MAPT 1020/4885ALDH1A1 735/4885KDM4E 409/4885
US-20190345097-A1 Compositions and Methods for Reactivating Cholinesterases ACHE, BCHE, CHAT MAPT 1020/4885ALDH1A1 735/4885KDM4E 409/4885

“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.