SCHEMBL17548877

SCHEMBL17548877

CC(Cc1ccc(CC#N)cc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.36
FAAH O00519 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL17548908 0.85 FAAH (0.43) ALDH1A1FAAHKMT2ARAB9AKCNJ1
SCHEMBL19395994 0.80 FAAH (0.51) ALDH1A1FAAHKMT2ALMNAPOLB
SCHEMBL19396018 0.78 CA2 (0.39) L3MBTL1GAAALDH1A1FAAHKMT2A
SCHEMBL395680 0.77 LOXL2 (0.52) ALDH1A1KMT2ARAB9ALMNAPOLB
SCHEMBL5878373 0.77 ACACB (0.40) FAAHKMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL3289735 0.76 CPA1 (0.49) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL11036512 0.76 CPA1 (0.49) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL6923032 0.75 MAOB (0.43) L3MBTL1ALDH1A1MAOBFAAHKMT2A
SCHEMBL19559508 0.74 SLC6A4 (0.55) L3MBTL1GAAKMT2APOLBKCNJ1
SCHEMBL28125322 0.74 KCNJ1 (0.43) ALDH1A1FAAHKMT2AKCNJ1KCNH2

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-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof MICROMIDAS, INC. (US) 2019-07-30 US disclosed
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 US disclosed
WO-2016033348-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2016-03-03 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO L3MBTL1 4229/4885GAA 2790/4885ALDH1A1 733/4885
US-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof DDC, DDT, DAO L3MBTL1 4229/4885GAA 2790/4885ALDH1A1 733/4885

“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.