Sugi Predict

Sugi Predict / Compounds / SCHEMBL4880922

SCHEMBL4880922

SCHEMBL4880922

O=Cc1cc2ccccc2c(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ NR1I3 Q14994 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GLA P06280 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CRHR1 P34998 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ C1R P00736 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37

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
SCHEMBL3041673 0.84 KMT2A (0.39) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL8472197 0.81 TSPO (0.45) TSPOKMT2AALDH1A1MEN1TSHR
SCHEMBL27748860 0.78 TSPO (0.43) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL4802524 0.76 TSPO (0.48) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL31339992 0.74 TSPO (0.59) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL3590415 0.74 TSPO (0.59) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL15850566 0.73 TSPO (0.61) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL10987170 0.73 TSPO (0.58) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL14018750 0.72 TSPO (0.45) TSPOKMT2AALDH1A1MEN1CYP3A4
SCHEMBL8472188 0.72 CYP1A2 (0.36) TSPOKMT2AALDH1A1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 — — US disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 — — US disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 — — US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 — — US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 — — US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 — — US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 — — US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 — — US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 — — US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 — — US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 — — US disclosed
EP-1429783-A4 MULTI-USE MULTIMODAL IMAGING CHELATES UNIV TEXAS TECH (US) 2006-08-09 — — EP disclosed
EP-1429783-A2 MULTI-USE MULTIMODAL IMAGING CHELATES TEXAS TECH UNIVERSITY (US) 2004-06-23 — — EP disclosed
WO-2003020701-A9 MULTI-USE MULTIMODAL IMAGING CHELATES UNIV TEXAS TECH (US) 2003-09-12 — — WO disclosed
US-20030129579-A1 Formed from 1,4,7,10 tetraazacyclododecane having varying chelating ions, phosphoester chains, and light harvesting moieties. VANDERBILT UNIVERSITY 2003-07-10 — — US disclosed
WO-2003020701-A2 MULTI-USE MULTIMODAL IMAGING CHELATES TEXAS TECH UNIVERSITY (US) 2003-03-13 — — 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 (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-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB TSPO 217/4885KMT2A 1640/4885ALDH1A1 3987/4885
US-20030129579-A1 Formed from 1,4,7,10 tetraazacyclododecane having varying chelating ions, phosphoester chains, and light harvesting moieties. PCNA, CLTC, PHOSPHO1 TSPO 423/4885KMT2A 2159/4885ALDH1A1 3803/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB TSPO 217/4885KMT2A 1640/4885ALDH1A1 3987/4885

“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.