SCHEMBL5591748

SCHEMBL5591748

CC(C)c1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
MAPT P10636 6/20 0.63
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
GAA P10253 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
PAX8 Q06710 1/20 0.58
NOD2 Q9HC29 1/20 0.58
POLB P06746 2/20 0.52
ILK Q13418 3/20 0.51
GLA P06280 2/20 0.51
HCRTR1 O43613 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL22001880 0.84 KDM4E (0.56) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL231307 0.82 KDM4E (0.75) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL17693825 0.80 TNF (0.58) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL12854008 0.80 KDM4E (0.72) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL914476 0.77 KDM4E (1.00) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL5545830 0.77 KDM4E (0.64) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL29437945 0.77 KDM4E (1.00) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL2788588 0.77 KDM4E (0.64) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL2137490 0.77 KDM4E (0.69) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL827403 0.75 RAB9A (0.67) KDM4ERAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 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 (3 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT KDM4E 3060/4885RAB9A 1610/4885NPC1 577/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT KDM4E 3060/4885RAB9A 1610/4885NPC1 577/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM4E 1825/4885RAB9A 1834/4885NPC1 2559/4885

“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.