SCHEMBL1006877

SCHEMBL1006877

NC(=O)c1nn2c(c1[N+](=O)[O-])C(=O)NCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CDC7 O00311 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
SCHEMBL1007624 0.79 CDC7 (0.33) CDC7
SCHEMBL1006750 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL1007761 0.76 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL18632622 0.68 CDC7 (0.34) CDC7
SCHEMBL6383925 0.68 ALDH1A1 (0.33) SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18655523 0.67 CDC7 (0.33) CDC7
SCHEMBL9938070 0.67 CDC7 (0.33) CDC7
SCHEMBL18655531 0.67 ALOX5 (0.34) CDC7
SCHEMBL18632621 0.67 KDM4C (0.36) SMN1; SMN2CDC7
SCHEMBL6381321 0.67 ALDH1A1 (0.35) SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 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 (2 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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B SMN1; SMN2 2441/4885CYP1A2 679/4885CYP3A4 1475/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885CYP1A2 2476/4885CYP3A4 2926/4885

“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.