SCHEMBL13359367

SCHEMBL13359367

CCN1C=C/C(=C\C=C\c2sc3ccccc3[n+]2CCO)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
HTT P42858 4/20 0.41
BLM P54132 3/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
APP P05067 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
ITGB2 P05107 1/20 0.41
ALPL P05186 1/20 0.41
ITGAM P11215 1/20 0.41
GFER P55789 1/20 0.41
USP2 O75604 2/20 0.39
MTOR P42345 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
PKM P14618 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL26845482 0.92 KMT2A (0.41) KMT2AMEN1HTTBLMNPC1
SCHEMBL26845477 0.89 KMT2A (0.42) KMT2AMEN1HTTBLMNPC1
SCHEMBL13124538 0.89 MEN1 (0.37) KMT2AMEN1HTTBLMNPC1
SCHEMBL26845349 0.84 ADRB2 (0.38) KMT2AMEN1HTTBLMNPC1
SCHEMBL26845333 0.84 INSR (0.40) KMT2AMEN1HTTBLMNPC1
SCHEMBL13107781 0.82 NPC1 (0.49) KMT2AMEN1HTTBLMNPC1
SCHEMBL26845399 0.82 KMT2A (0.37) KMT2AMEN1HTTBLMNPC1
SCHEMBL26845364 0.81 NPC1 (0.37) KMT2AMEN1HTTBLMNPC1
SCHEMBL13359353 0.81 PRMT1 (0.41) KMT2AMEN1HTTBLMNPC1
SCHEMBL13124705 0.81 NPC1 (0.34) KMT2AMEN1HTTBLMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709653-B2 Asymmetric cyanine compounds, their preparation methods and their uses SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO. LTD. (CN) 2010-05-04 US disclosed
US-20090305285-A1 ASYMMETRIC CYANINE COMPOUNDS, THEIR PREPARATION METHODS AND THEIR USES SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2009-12-10 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-20090305285-A1 ASYMMETRIC CYANINE COMPOUNDS, THEIR PREPARATION METHODS AND THEIR USES IK, RCN1, RCC1 KMT2A 1677/4885MEN1 2874/4885HTT 3596/4885

“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.