SCHEMBL10000103

SCHEMBL10000103

Clc1cccc(C(c2cnc[nH]2)c2cccc3cccnc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.40
ADRA2B P18089 9/20 0.40
ADRA2C P18825 9/20 0.40
ADRA1A P35348 6/20 0.40
ADRA1D P25100 5/20 0.40
ADRA1B P35368 5/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA5 P22460 1/20 0.38
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
NLN Q9BYT8 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL701285 0.87 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3021830 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13247008 0.85 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13267920 0.80 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3017476 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13247013 0.79 BRAF (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13247003 0.78 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13247002 0.78 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13246998 0.76 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10000112 0.74 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124774-B2 Therapeutic ((phenyl)imidazolyl)methylquinolinyl compounds ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-8124774-B2 Therapeutic ((phenyl)imidazolyl)methylquinolinyl compounds ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERDAN, INC. (US) 2010-08-05 US disclosed
US-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERDAN, INC. (US) 2010-08-05 US disclosed
WO-2008147788-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERGAN, INC. (US) 2008-12-04 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 (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-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS GOT2, COQ8A, OAT ADRA2A 905/4885ADRA2B 1168/4885ADRA2C 429/4885

“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.