SCHEMBL336984

SCHEMBL336984

C[n+]1c(C=C2C=CN(CCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCN3C=C/C(=C\c4sc5ccccc5[n+]4C)c4ccccc43)c3ccccc32)sc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL347344 1.00 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13205943 0.98 HPGD (0.35) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16213657 0.97 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL12994303 0.97 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13646004 0.97 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16471773 0.97 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16213655 0.97 MEN1 (0.38) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16213663 0.95 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL347151 0.93 HTT (0.38) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13205923 0.91 HPGD (0.38) MEN1KMT2ASMN1; SMN2MAPTHTT

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-9580749-B2 Dyes and labeled molecules BIOTIUM, INC. (US) 2017-02-28 US disclosed
US-8877437-B1 Methods of using dyes in association with nucleic acid staining or detection BIOTIUM, INC. (US) 2014-11-04 US disclosed
US-20140106349-A1 Dyes and Labeled Molecules ALLELOGIC BIOSCIENCES CORPORATION (US) 2014-04-17 US disclosed
US-8530195-B2 Dyes and labeled molecules BIOTIUM, INC. (US) 2013-09-10 US disclosed
EP-2428586-B1 Dimeric nucleic acid dyes, and associated systems and methods BIOTIUM INC (US) 2013-05-08 EP disclosed
EP-2428586-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods Biotium Inc. (US) 2012-03-14 EP disclosed
US-20100317016-A1 DYES AND LABELED MOLECULES BIOTIUM, INC. (US) 2010-12-16 US disclosed
US-7803943-B2 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. (US) 2010-09-28 US disclosed
US-20100009454-A1 METHODS OF USING DYES IN ASSOCIATION WITH NUCLEIC ACID STAINING OR DETECTION AND ASSOCIATED TECHNOLOGY BIOTIUM, INC. 2010-01-14 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-20100317016-A1 DYES AND LABELED MOLECULES DNA2, POLL, POLRMT MEN1 3095/4885KMT2A 4166/4885SMN1; SMN2 3673/4885

“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.