SCHEMBL9949083

SCHEMBL9949083

COc1cccc(-c2oc(C)nc2CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.43
F2 P00734 1/20 0.43
VDR P11473 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL2130660 0.81 ERBB2 (0.36) TP53
SCHEMBL7940867 0.81 SMN1; SMN2 (0.49) RXRARXRBNPC1RAB9ATP53
SCHEMBL9949139 0.80 MAPK13 (0.51) RXRARXRBALDH1A1KDM4EL3MBTL1
SCHEMBL1167406 0.77 PIN1 (0.57) RXRARXRBSMN1; SMN2TDP1ALDH1A1
SCHEMBL9949158 0.76 GSK3B (0.48) RXRARXRBNPC1RAB9ATP53
SCHEMBL15189753 0.75 RXRA (0.49) RXRARXRBTP53SMN1; SMN2TDP1
SCHEMBL1387273 0.74 MAPK14 (0.65) RXRARXRBNPC1RAB9ATP53
SCHEMBL1969979 0.73 TARBP2 (0.50) RXRARXRBTP53SMN1; SMN2NFKB1
SCHEMBL9948677 0.72 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31163800 0.70 RXRA (0.35) RXRARXRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 RXRA 1082/4885RXRB 1428/4885NPC1 383/4885

“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.