SCHEMBL2173244

SCHEMBL2173244

COc1cc([N+](=O)[O-])ccc1OCOCC[Si](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
KCNA3 P22001 1/20 0.44
KCNA5 P22460 1/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL4855416 0.95 MAPT (0.48) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL12386617 0.86 LMNA (0.43) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2174384 0.86 LMNA (0.43) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2171799 0.86 LMNA (0.43) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL15508768 0.86 ALDH1A1 (0.44) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5318142 0.85 MAPT (0.57) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL15508874 0.85 RAB9A (0.55) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL22125983 0.85 HTT (0.38) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27247652 0.85 RAB9A (0.44) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7060589 0.85 HTT (0.38) LMNAALDH1A1MAPTSMN1; SMN2NPC1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 US disclosed
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 US disclosed
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 US disclosed
US-9499482-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499482-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499482-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-2892896-B1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-06-29 EP disclosed
EP-2892896-B1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-06-29 EP disclosed
US-20150218092-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2015-08-06 US disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 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
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US 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
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 WO disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (5 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LMNA 2735/4885ALDH1A1 2391/4885MAPT 4057/4885
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 LMNA 4699/4885ALDH1A1 689/4885MAPT 2870/4885
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R LMNA 4770/4885ALDH1A1 896/4885MAPT 3405/4885
US-20150218092-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R LMNA 4770/4885ALDH1A1 896/4885MAPT 3405/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 LMNA 2659/4885ALDH1A1 3257/4885MAPT 3753/4885

“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.