SCHEMBL2076697

SCHEMBL2076697

NC(=O)CN1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.64
ALDH1A1 P00352 9/20 0.64
ALDH1A3 P47895 1/20 0.64
LMNA P02545 4/20 0.51
CYP3A4 P08684 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL22147373 0.89 MAPT (0.66) MAPTALDH1A1ALDH1A3LMNAL3MBTL1
Hydrochloric Acid SCHEMBL20168195 0.88 MAPT (0.64) MAPTALDH1A1ALDH1A3LMNABLM
SCHEMBL4363579 0.86 MAPT (0.52) MAPTALDH1A1ALDH1A3LMNACYP3A4
SCHEMBL4363585 0.86 MAPT (0.52) MAPTALDH1A1ALDH1A3LMNACYP3A4
SCHEMBL30522472 0.83 MAPT (0.58) MAPTALDH1A1ALDH1A3LMNACYP3A4
SCHEMBL20167799 0.83 MAPT (0.58) MAPTALDH1A1ALDH1A3LMNACYP3A4
SCHEMBL2080668 0.83 MAPT (0.53) MAPTALDH1A1LMNACYP3A4BLM
SCHEMBL3436164 0.83 LMNA (0.54) MAPTALDH1A1LMNACYP3A4BLM
SCHEMBL3436159 0.83 MAPT (0.61) MAPTALDH1A1LMNACYP3A4BLM
SCHEMBL2080950 0.83 L3MBTL1 (0.63) MAPTALDH1A1LMNACYP3A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MAPT 1330/4885ALDH1A1 975/4885ALDH1A3 738/4885

“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.