SCHEMBL933020

SCHEMBL933020

O=C(OCc1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 5/20 0.58
ATM Q13315 1/20 0.58
F13A1 P00488 5/20 0.57
TGM2 P21980 5/20 0.57
TGM1 P22735 5/20 0.57
PKM P14618 7/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 4/20 0.53
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 6/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51

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
SCHEMBL932229 0.88 TGM2 (0.63) SMN1; SMN2LMNAATMF13A1TGM2
SCHEMBL9951308 0.79 PKM (0.66) SMN1; SMN2LMNAATMPKMMEN1
SCHEMBL10064223 0.75 TGM2 (0.70) SMN1; SMN2F13A1TGM2TGM1MEN1
SCHEMBL21910906 0.75 CHRM1 (0.45) SMN1; SMN2LMNAKMT2AALDH1A1HTT
SCHEMBL30255473 0.75 CHRM1 (0.45) SMN1; SMN2LMNAKMT2AALDH1A1HTT
SCHEMBL12943725 0.74 GRIN2B (0.46) SMN1; SMN2F13A1TGM2TGM1MEN1
SCHEMBL5792708 0.74 OPRK1 (0.56) SMN1; SMN2LMNAMEN1RAB9AKMT2A
SCHEMBL12271481 0.74 GRIN2B (0.58) SMN1; SMN2LMNAMEN1RAB9AKMT2A
SCHEMBL31277593 0.74 TGM2 (0.68) SMN1; SMN2F13A1TGM2TGM1PKM
SCHEMBL9950632 0.74 PKM (0.66) SMN1; SMN2LMNAATMPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 3566/4885LMNA 1420/4885ATM 226/4885

“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.