SCHEMBL1673078

SCHEMBL1673078

O=[N+]([O-])c1ccc2[nH]c(-c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.76
POLB P06746 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GRIA1 P42261 1/20 0.55
GRIA2 P42262 1/20 0.55
GRIA3 P42263 1/20 0.55
GRIA4 P48058 1/20 0.55
MAPT P10636 5/20 0.54
NOS1 P29475 2/20 0.54
MAOB P27338 1/20 0.54
HRH4 Q9H3N8 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 2/20 0.46

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
SCHEMBL10172981 0.90 CYP19A1 (0.64) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL7514925 0.90 CYP19A1 (0.82) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL30054382 0.87 CYP19A1 (1.00) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL1465536 0.87 CYP19A1 (1.00) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL13062870 0.87 CYP19A1 (0.64) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL7912335 0.84 CYP19A1 (0.69) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL14694251 0.84 CYP19A1 (0.74) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL7133332 0.84 CYP19A1 (0.74) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL18160165 0.84 CYP19A1 (0.74) CYP19A1POLBNPC1MEN1KMT2A
SCHEMBL18180609 0.84 CYP19A1 (0.74) CYP19A1POLBNPC1MEN1KMT2A

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-20110097707-A1 RNAi Agents Comprising Universal Nucleobases ALNYLAM PHARMACEUTICALS, INC. (US) 2011-04-28 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-20110097707-A1 RNAi Agents Comprising Universal Nucleobases NOP2, NOP58, FBL CYP19A1 4313/4885POLB 1180/4885NPC1 2546/4885

“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.