SCHEMBL623389

SCHEMBL623389

OB(O)c1cc(CN2CCCC2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
HRH3 Q9Y5N1 2/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HRH4 Q9H3N8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NCF1 P14598 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTT P42858 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL20914856 0.86 HRH3 (0.56) SMN1; SMN2POLBHRH3SIGMAR1NCF1
SCHEMBL6795896 0.80 POLB (0.96) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL13293705 0.79 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL30596563 0.79 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL24023500 0.79 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL24023501 0.79 POLB (1.00) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL29954738 0.79 ALDH1A1 (0.68) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL790908 0.78 HRH3 (0.52) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL17010818 0.77 POLB (0.71) SMN1; SMN2POLBHRH3ALDH1A1KDM4E
SCHEMBL2557827 0.77 HRH3 (0.65) SMN1; SMN2POLBHRH3ALDH1A1KDM4E

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 SMN1; SMN2 4275/4885POLB 745/4885HRH3 371/4885

“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.