SCHEMBL12123719

SCHEMBL12123719

O=C1c2cc3ccccc3cc2SC1CN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.44
HRH3 Q9Y5N1 3/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.35
KDR P35968 1/20 0.35
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL14385121 0.87 GAA (0.37) LMNAKMT2AALDH1A1HPGDHSD17B10
SCHEMBL12123712 0.80 METAP1 (0.52) METAP1HRH3
SCHEMBL12123717 0.71 METAP1 (0.45) METAP1LMNAKDRMAOA
SCHEMBL12123713 0.70 METAP1 (0.44) METAP1HRH3LMNAMEN1MAPT
SCHEMBL12123714 0.69 SIGMAR1 (0.54) METAP1LMNA
SCHEMBL12123718 0.68 METAP1 (0.51) METAP1LMNAMEN1HTTKMT2A
SCHEMBL14384890 0.68 METAP1 (0.39) METAP1LMNAMEN1KMT2AALDH1A1
SCHEMBL14567092 0.63 ALDH1A1 (0.51) LMNAMEN1MITFMAPTHTT
SCHEMBL14567099 0.61 ALDH1A1 (0.49) LMNAMEN1MITFMAPTHTT
SCHEMBL5471012 0.61 METAP1 (1.00) METAP1

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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 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 (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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885HRH3 2291/4885LMNA 4556/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885HRH3 2291/4885LMNA 4556/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885HRH3 2291/4885LMNA 4556/4885

“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.