SCHEMBL627446

SCHEMBL627446

COC(=O)c1ncoc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FBP1 P09467 1/20 0.41
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL9586659 0.85 ALOX5 (0.49) LMNAHTTKDM4EMAPTALDH1A1
SCHEMBL30395552 0.85 ALOX5 (0.49) LMNAHTTKDM4EMAPTALDH1A1
SCHEMBL23421579 0.83 KMT2A (0.52) LMNAGAAKDM4EMEN1ALDH1A1
SCHEMBL30395005 0.82 ADORA2A (0.47) GAAKDM4EMAPTMEN1ALDH1A1
SCHEMBL12898707 0.82 LMNA (0.48) LMNAGAATSHRKDM4EMEN1
SCHEMBL1969272 0.79 ADORA2A (0.64) LMNAGAAHTTKDM4EMAPT
SCHEMBL5772336 0.79 POLB (0.45) LMNAGAATSHRKDM4EMAPT
SCHEMBL6221389 0.78 RAB9A (0.44) LMNAGAAHTTMAPTMEN1
SCHEMBL9722618 0.78 GSK3B (0.39) LMNAGAAKDM4EMAPTNPC1
SCHEMBL4068646 0.78 L3MBTL1 (0.47) LMNATSHRKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 LMNA 3627/4885GAA 243/4885TSHR 4109/4885

“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.