SCHEMBL5571439

SCHEMBL5571439

CNCc1c2ccccc2c(CN(C)C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ GLS O94925 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ AKT1 P31749 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL6363168 0.85 HTR2C (0.41) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6368953 0.81 HTR2C (0.39) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6362442 0.81 HTR2C (0.39) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6368947 0.78 KMT2A (0.35) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6364351 0.78 GBA1 (0.34) HTR2CSLC6A4GBA1GLSBRD4
SCHEMBL6363912 0.78 BCHE (0.34) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6363358 0.78 RAB9A (0.43) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6367828 0.78 KMT2A (0.52) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6369123 0.78 ACHE (0.38) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL6363734 0.78 KMT2A (0.35) HTR2CSLC6A4CTSLCTSBCTSS

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-9476883-B2 Cellular recognition conjugates and methods of use for the histological analysis of cancer tissue using MALDI-MS imaging GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 — — US disclosed
US-9476883-B2 Cellular recognition conjugates and methods of use for the histological analysis of cancer tissue using MALDI-MS imaging GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 — — US disclosed
US-20140315220-A1 CELLULAR RECOGNITION CONJUGATES AND METHODS OF USE FOR THE HISTOLOGICAL ANALYSIS OF CANCER TISSUE USING MALDI-MS IMAGING GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-10-23 — — US disclosed
US-20140315220-A1 CELLULAR RECOGNITION CONJUGATES AND METHODS OF USE FOR THE HISTOLOGICAL ANALYSIS OF CANCER TISSUE USING MALDI-MS IMAGING GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-10-23 — — US disclosed
US-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2007-06-21 — — US disclosed
WO-2007070827-A2 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-21 — — WO disclosed
US-6916660-B2 Fluorescent sensor compounds for detecting saccharides NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 — — US disclosed
US-20040048390-A1 Fluorescent sensor compounds for detecting saccharides NORTH CAROLINA STATE UNIVERSITY 2004-03-11 — — US disclosed
WO-2003094926-A1 FLUORESCENT SENSOR COMPOUNDS FOR DETECTING SACCHARIDES NORTH CAROLINA STATE UNIVERSITY (US) 2003-11-20 — — 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 (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-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING TNNI3, TNNT2, TNNC1 HTR2C 3849/4885SLC6A4 98/4885CTSL 2204/4885

“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.

Send feedback