SCHEMBL2538868

SCHEMBL2538868

CC1=CCN(C(C)O)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.33
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NOTUM Q6P988 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20125004 0.74 LMNA (0.38) LMNAMAPK1USP2TSHRNPSR1
SCHEMBL29738286 0.72 CES1 (0.35) LMNAMAPK1USP2TSHRNPSR1
SCHEMBL4432600 0.72 CES1 (0.35) LMNAMAPK1USP2TSHRNPSR1
Iodide SCHEMBL27878012 0.71 CES1 (0.34) LMNAMAPK1USP2TSHRNPSR1
SCHEMBL2193457 0.69 NOTUM (0.57) LMNAALDH1A1NOTUMKDM4E
SCHEMBL9053549 0.68 BRD2 (0.44) LMNAMAPK1USP2TSHRNPSR1
SCHEMBL2543813 0.68 NPY5R (0.34) LMNAMAPK1USP2TSHRNPSR1
SCHEMBL29276950 0.68 LMNA (0.33) LMNAMAPK1USP2TSHRNPSR1
Bromide SCHEMBL31147095 0.67 S100A4 (0.34) LMNAMAPK1USP2TSHRNPSR1
Iodide SCHEMBL27902564 0.67 MAPT (0.34) LMNAMAPK1USP2TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029996-B2 Class of cyano-substituted asymmetric cyanine dyes, synthesizing method and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2018-07-24 US disclosed
US-20150118703-A1 CLASS OF CYANO-SUBSTITUTED ASYMMETRIC CYANINE DYES, SYNTHESIZING METHOD AND APPLICATION THEREOF SICHUAN ANKERUI NEW MATERIAL TECHNOLOGY CO., LTD (CN) 2015-04-30 US disclosed
US-8298766-B2 Fluorescent dyes, methods of synthesis and applications thereof SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2012-10-30 US disclosed
US-20110262904-A1 FLUORESCENT DYES,METHODS OF SYNTHESIS AND APPLICATIONS THEREOF SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2011-10-27 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 (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-10029996-B2 Class of cyano-substituted asymmetric cyanine dyes, synthesizing method and application thereof HCCS, MKI67, MB LMNA 299/4885IDO1 1305/4885MAPK1 3102/4885
US-20150118703-A1 CLASS OF CYANO-SUBSTITUTED ASYMMETRIC CYANINE DYES, SYNTHESIZING METHOD AND APPLICATION THEREOF HCCS, MKI67, MB LMNA 299/4885IDO1 1305/4885MAPK1 3102/4885
US-20110262904-A1 FLUORESCENT DYES,METHODS OF SYNTHESIS AND APPLICATIONS THEREOF CBR3, CCR3, BCL3 LMNA 230/4885IDO1 1648/4885MAPK1 3743/4885

“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.