SCHEMBL2170961

SCHEMBL2170961

COc1cc(N)ccc1OCC(C)OCOCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 5/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HTT P42858 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
XDH P47989 1/20 0.35
CYP19A1 P11511 2/20 0.33
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
HCK P08631 2/20 0.33
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 2/20 0.33

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
SCHEMBL12264979 1.00 ALDH1A1 (0.45) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL2170859 0.85 KDM4E (0.54) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL12386617 0.81 LMNA (0.43) ALDH1A1MAPTHTTMAPK1CYP19A1
SCHEMBL2174384 0.81 LMNA (0.43) ALDH1A1MAPTHTTMAPK1CYP19A1
SCHEMBL4849344 0.79 KDM4E (0.46) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL2171198 0.76 GAA (0.45) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL16360634 0.76 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL5453516 0.75 GAA (0.58) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL10187288 0.73 ALDH1A1 (0.80) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL1531318 0.70 GAA (0.60) ALDH1A1GAAMAPTKDM4EHTT

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-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 ALDH1A1 689/4885GAA 2450/4885MAPT 2870/4885

“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.