SCHEMBL16583871

SCHEMBL16583871

NCCc1ccnc(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.52
HRH1 P35367 1/20 0.47
LOX P28300 3/20 0.45
LOXL3 P58215 1/20 0.45
TAAR1 Q96RJ0 8/20 0.42
DRD2 P14416 3/20 0.42
DRD1 P21728 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 2/20 0.42
MAPT P10636 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
SLC6A2 P23975 2/20 0.42
MAPK1 P28482 2/20 0.42
DRD3 P35462 2/20 0.42
RECQL P46063 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PNMT P11086 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4107151 0.84 LOXL2 (0.61) LOXL2LOXLOXL3ADRB2
Hydrochloric Acid SCHEMBL5013442 0.82 LOXL2 (0.59) LOXL2LOXLOXL3ADRB2
SCHEMBL10651314 0.82 LOXL2 (0.46) LOXL2HRH1LOXLOXL3RECQL
SCHEMBL23706252 0.82 NR3C2 (0.51) LOXL2HRH1LOXLOXL3TAAR1
SCHEMBL15200880 0.78 NOS3 (0.61) LOXL2LOXLOXL3TAAR1KDM4E
SCHEMBL4134209 0.78 NOS3 (0.61) LOXL2LOXLOXL3TAAR1DRD2
SCHEMBL2642380 0.78 RECQL (0.55) LOXL2LOXLOXL3RECQL
SCHEMBL3915085 0.77 LOXL2 (0.50) LOXL2LOXTAAR1DRD2DRD1
SCHEMBL16635231 0.77 LOXL2 (0.50) LOXL2LOXLOXL3TAAR1DRD2
Hydrochloric Acid SCHEMBL6953232 0.77 NOS3 (0.59) LOXL2LOXLOXL3TAAR1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833768-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-12-05 US disclosed
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION IMPOSSIBLE FOODS INC. 2017-11-09 US disclosed
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 US disclosed
US-20150087532-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-03-26 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 (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-20150087532-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A LOXL2 3343/4885HRH1 3961/4885LOX 2513/4885
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A LOXL2 3343/4885HRH1 3961/4885LOX 2513/4885

“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.