SCHEMBL6811222

SCHEMBL6811222

CCc1c([N+](=O)[O-])c(C(N)=O)nn1CN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 8/20 0.37
MAPT P10636 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.31
RAB9A P51151 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6442557 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTL3MBTL1HTT
SCHEMBL27492967 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTL3MBTL1HTT
SCHEMBL6363517 0.80 GAA (0.46) SMN1; SMN2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL6629620 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTCNR1CNR2
SCHEMBL6629811 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL6806280 0.77 HRH1 (0.39) SMN1; SMN2
SCHEMBL3579847 0.76 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL6200618 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL6806899 0.75 MEN1 (0.36) SMN1; SMN2ALDH1A1HPGDPOLBMEN1
SCHEMBL6629342 0.75 MEN1 (0.36) SMN1; SMN2ALDH1A1HPGDPOLBMEN1

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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 2159/4885ALDH1A1 621/4885MAPT 4770/4885

“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.