SCHEMBL4560416

SCHEMBL4560416

C(#CNCc1ccccc1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX12 P18054 2/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL445629 0.85 MAPT (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL11779489 0.84 APP (0.46) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL447667 0.82 IDO1 (0.46) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL10599065 0.82 IDO1 (0.46) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL6014578 0.80 MAPT (0.44) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL3399019 0.79 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL581278 0.79 MAPT (0.52) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL2701017 0.79 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL27353 0.79 CA2 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL2549267 0.79 ALOX12 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2009-06-04 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-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 IDO1 1639/4885MEN1 2989/4885KMT2A 3591/4885

“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.