SCHEMBL6042735

SCHEMBL6042735

N=[N+]=NNCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.39
ALOX12 P18054 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL28357147 0.78 IDO1 (0.43) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL11126521 0.75 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL1793817 0.70 MAPT (0.52) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL19069697 0.70 HTT (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL2370062 0.70 ADH1B (0.54) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL11884759 0.70 KMT2A (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL21192748 0.70 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL4380238 0.68 IDO1 (0.46) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL1616038 0.68 GRIN2D (0.47) IDO1MEN1KMT2ATHRBTDP1
Fluoride SCHEMBL634375 0.68 MEN1 (0.74) IDO1MEN1KMT2ATHRBTDP1

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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 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 (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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 IDO1 789/4885MEN1 1992/4885KMT2A 2309/4885

“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.