SCHEMBL7706427

SCHEMBL7706427

CCOC(=O)Cc1nc(I)c2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
MAPK1 P28482 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
PSMD14 O00487 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HBB P68871 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL19585633 0.86 MAPK1 (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL31215206 0.84 KDM4E (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL18549701 0.83 KDM4E (0.46) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL18549674 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL15492956 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL18549636 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL7709349 0.77 GAA (0.43) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL7706361 0.77 HCRTR2 (0.62) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL31215231 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHPGDMAPK1
SCHEMBL21577704 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EGAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092584-B2 Compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-09 US disclosed
US-20170056428-A1 Compounds for the Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170056428-A1 Compounds for the Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170056428-A1 Compounds for the Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
WO-2017035360-A1 COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 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 (2 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-10092584-B2 Compounds for the treatment of medical disorders CFD, TFPI, CFH ALDH1A1 3300/4885KDM4E 4533/4885GAA 1837/4885
US-20170056428-A1 Compounds for the Treatment of Medical Disorders CFD, TFPI, CFH ALDH1A1 3300/4885KDM4E 4533/4885GAA 1837/4885

“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.