SCHEMBL11744575

SCHEMBL11744575

Cc1ccc2[nH]c(C(=O)O)cc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
PIN1 Q13526 1/20 0.50
RHEB Q15382 2/20 0.47
NGFR P08138 1/20 0.46
HPGD P15428 3/20 0.46
CYP2C19 P33261 2/20 0.46
GRIN1 Q05586 2/20 0.46
MEN1 O00255 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
AHR P35869 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 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
SCHEMBL3107966 0.83 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL27482998 0.81 KDM4E (0.53) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL8911576 0.81 KDM4E (0.53) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL17429439 0.80 KDM4E (0.56) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL3103120 0.80 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL11740631 0.80 KDM4E (0.51) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL22620683 0.80 KDM4E (0.51) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL3028151 0.80 KDM4E (0.59) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL11737870 0.78 KDM4E (0.49) KDM4EHSD17B10ALDH1A1LMNAPIN1
SCHEMBL3099146 0.78 CYP2C19 (0.51) KDM4EHSD17B10ALDH1A1LMNAPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 WO disclosed
US-4060626-A Indole-carboxylic carbon compounds and pharmaceutical compositions containing them BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-11-29 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-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 KDM4E 3461/4885HSD17B10 2679/4885ALDH1A1 1525/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 KDM4E 3528/4885HSD17B10 2842/4885ALDH1A1 1497/4885

“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.