SCHEMBL676791

SCHEMBL676791

CCOCn1c2ccccc2c2cc(Cl)cnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.49
L3MBTL1 Q9Y468 6/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 4/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
KDM4A O75164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
PDE10A Q9Y233 2/20 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
SCHEMBL676114 0.80 PTGER4 (0.56) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL674752 0.76 PTGER4 (0.49) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL678729 0.74 PDE10A (0.50) PTGER4L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL675524 0.74 UTS2R (0.37) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL18338087 0.72 L3MBTL1 (0.52) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL14418729 0.70 PTGER4 (0.69) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL13553021 0.69 MEN1 (0.49) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL17425319 0.67 KDM4E (0.44) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL676181 0.66 GRM5 (0.42) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL15774421 0.66 PTGER4 (1.00) PTGER4L3MBTL1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 PTGER4 3364/4885L3MBTL1 1883/4885KDM4E 2789/4885

“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.