SCHEMBL3510744

SCHEMBL3510744

O=C(O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.48
EPHX2 P34913 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL34472299 0.84 RAB9A (0.61) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL4697948 0.84 DRD2 (0.51) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL20952542 0.83 SMN1; SMN2 (0.56) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL34473907 0.83 MAPT (0.57) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL3507910 0.82 TDP1 (0.51) ALDH1A1SMN1; SMN2POLBKMT2AEPHX2
SCHEMBL22405638 0.81 ALDH1A1 (0.60) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL3427781 0.81 MAPT (0.72) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL29067089 0.80 EPHX2 (0.68) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL4029063 0.80 MAPT (0.70) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL6212316 0.80 MGLL (0.65) ALDH1A1LMNASMN1; SMN2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 ALDH1A1 3643/4885MAPT 3766/4885TP53 4267/4885

“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.