SCHEMBL1111606

SCHEMBL1111606

CCOc1cccc(-c2ncc(C(=O)O)cn2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.69
RXRB P28702 1/20 0.69
NR1H4 Q96RI1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 1/20 0.50
FABP1 P07148 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL11981791 0.85 RXRA (0.54) RXRARXRBSMN1; SMN2KMT2ATP53
SCHEMBL3221686 0.85 DYRK1A (0.63) RXRARXRBSMN1; SMN2MRGPRX4MAPT
SCHEMBL1111583 0.85 RXRA (0.68) RXRARXRBNR1H4SMN1; SMN2KMT2A
SCHEMBL4758879 0.82 RXRA (1.00) RXRARXRBNR1H4SMN1; SMN2KMT2A
SCHEMBL18314425 0.82 RXRA (1.00) RXRARXRBNR1H4SMN1; SMN2KMT2A
SCHEMBL1333545 0.79 KMT2A (0.75) RXRARXRBNR1H4SMN1; SMN2KMT2A
SCHEMBL29505938 0.79 KMT2A (0.75) RXRARXRBNR1H4SMN1; SMN2KMT2A
SCHEMBL29505934 0.79 KMT2A (0.75) RXRARXRBNR1H4SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL30608606 0.78 KMT2A (0.73) RXRARXRBNR1H4SMN1; SMN2KMT2A
SCHEMBL12171427 0.77 ALDH1A1 (0.67) RXRARXRBNR1H4SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 EP disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 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-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 RXRA 708/4885RXRB 818/4885NR1H4 438/4885

“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.