SCHEMBL2545271

SCHEMBL2545271

COCCOCCOCCOCCONc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 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
SCHEMBL16758732 1.00 KCNH3 (0.40) KCNH3MAPTALDH1A1LMNARAB9A
SCHEMBL10584523 1.00 KCNH3 (0.40) KCNH3MAPTALDH1A1LMNARAB9A
SCHEMBL8619179 0.94 KCNH3 (0.43) KCNH3MAPTALDH1A1TSHRCA2
SCHEMBL8869392 0.89 KCNH3 (0.40) KCNH3MAPTALDH1A1LMNARAB9A
SCHEMBL28100035 0.82 MAPK1 (0.46) KCNH3MAPTALDH1A1LMNAMAPK1
SCHEMBL11455928 0.82 NPSR1 (0.40) KCNH3ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL10585075 0.81 TSHR (0.50) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL18714192 0.78 APP (0.36) LMNA
SCHEMBL9015900 0.77 KCNH3 (0.51) KCNH3MAPTALDH1A1LMNARAB9A
SCHEMBL14982724 0.77 KCNH3 (0.51) KCNH3MAPTALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
EP-2563795-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2013-03-06 EP disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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 (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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 KCNH3 3670/4885MAPT 997/4885ALDH1A1 4061/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 KCNH3 4225/4885MAPT 1913/4885ALDH1A1 2750/4885

“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.