SCHEMBL17857367

SCHEMBL17857367

Cc1ccccc1N1CCN(C)C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SLC18A3 Q16572 1/20 0.36
MGLL Q99685 1/20 0.36
AR P10275 2/20 0.35
LMNA P02545 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL17885858 1.00 ADRB1 (0.42) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL20693382 0.89 ADRB1 (0.40) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL22753233 0.88 ADRB1 (0.47) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL25445601 0.79 LMNA (0.41) ALOX5MAPTMEN1KMT2AMGLL
SCHEMBL20693375 0.77 ALDH1A1 (0.53) ADRB1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL20693383 0.75 ALDH1A1 (0.42) ADRB1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL20693377 0.75 ALDH1A1 (0.42) ADRB1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16967089 0.75 ADRB1 (0.46) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL1835246 0.75 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16307945 0.74 ALDH1A1 (0.47) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9673408-B2 Luminescent diazabenzimidazole carbene metal complexes UDC IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-20160181549-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES UDC IRELAND LIMITED (IE) 2016-06-23 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-20160181549-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES OCIAD1, DRD2, OCIAD2 ADRB1 13/4885ALDH1A1 1458/4885HPGD 1890/4885

“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.