SCHEMBL10013656

SCHEMBL10013656

Nc1ccc(O)c2c1C(=O)c1c(NCC(=O)NCCCn3ccnc3)ccc(O)c1C2=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
IDE P14735 1/20 0.41

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
SCHEMBL10013660 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL10013644 0.78 CSNK2A2 (0.50) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL10013636 0.77 CSNK2A2 (0.49) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL10013655 0.77 CSNK2A2 (0.43) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL13790975 0.76 MEN1 (0.64) SMN1; SMN2MAPTLMNATSHRPOLB
SCHEMBL10013646 0.75 CSNK2A2 (0.43) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL13350306 0.74 CSNK2A2 (0.46) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL10013650 0.74 CSNK2A2 (0.46) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL13350278 0.74 CSNK2A2 (0.46) SMN1; SMN2MAPTNPC1PKMLMNA
SCHEMBL10013651 0.74 CSNK2A2 (0.46) SMN1; SMN2MAPTNPC1PKMLMNA

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-9709557-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2017-07-18 US disclosed
US-9709557-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2017-07-18 US disclosed
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation 2015-06-18 US disclosed
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation 2015-06-18 US disclosed
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 US disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 US disclosed
WO-2010062499-A2 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2010-06-03 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 (2 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-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK SMN1; SMN2 4791/4885MAPT 4419/4885NPC1 3302/4885
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK SMN1; SMN2 4791/4885MAPT 4419/4885NPC1 3302/4885

“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.