SCHEMBL3050849

SCHEMBL3050849

O=C(CN1CCc2c(Oc3ccc([N+](=O)[O-])cn3)cccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3055931 0.89 KDM4E (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3047408 0.88 TDP1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3061620 0.88 KDM4E (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051007 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1PKMMEN1
SCHEMBL3051209 0.85 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3065797 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1PKMMEN1
SCHEMBL3057193 0.81 LMNA (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3065125 0.81 FAAH (0.43) ALDH1A1SMN1; SMN2KMT2AHTTLMNA
SCHEMBL3060416 0.81 MEN1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3052257 0.80 FAAH (0.44) SMN1; SMN2HTTLMNATDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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 (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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 ALDH1A1 741/4885SMN1; SMN2 3814/4885L3MBTL1 4015/4885

“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.