SCHEMBL2806814

SCHEMBL2806814

N#Cc1ccc(F)cc1Nc1ccc(CNC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NAMPT P43490 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
TTK P33981 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
MCL1 Q07820 1/20 0.37
CHRM4 P08173 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKAA2 P54646 1/20 0.36

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
SCHEMBL2805481 0.84 AKT2 (0.39) LRRK2RAB9APOLBNPC1MAOB
SCHEMBL2805476 0.82 METAP2 (0.39) LRRK2RAB9APOLBNPC1MAOB
SCHEMBL186470 0.82 KDM4E (0.51) ALDH1A1TTKLMNAKMT2AMCL1
Trifluoroacetic Acid SCHEMBL185495 0.80 TAS2R14 (0.41) LRRK2FFAR1FFAR4NAMPTTAS2R14
Trifluoroacetic Acid SCHEMBL196776 0.79 CHRM4 (0.36) LRRK2TTKCHRM4
SCHEMBL185390 0.79 LRRK2 (0.47) LRRK2FFAR1FFAR4RAB9ANPC1
SCHEMBL2805653 0.77 CYP3A4 (0.40) LRRK2RAB9APOLBNPC1MAOB
SCHEMBL23201124 0.76 TRPV4 (0.46) FFAR1FFAR4MCL1
SCHEMBL2808193 0.75 BDKRB1 (0.47) LRRK2ALDH1A1NAMPTLMNAPRKAA2
SCHEMBL2809520 0.75 KDM4E (0.41) LRRK2RAB9APOLBNPC1MAOB

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LRRK2 2304/4885FFAR1 532/4885FFAR4 1544/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LRRK2 2304/4885FFAR1 532/4885FFAR4 1544/4885

“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.