SCHEMBL201873

SCHEMBL201873

CC(C)(CN)CNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL4313344 0.89 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL30361640 0.89 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1043132 0.88 MEN1 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL14345152 0.88 MEN1 (0.43) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1490855 0.85 SMN1; SMN2 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5794757 0.85 MEN1 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL29481131 0.85 SMN1; SMN2 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3869151 0.83 MAPK1 (0.44) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL18587552 0.81 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9836946 0.81 KMT2A (0.46) MAPTMEN1KMT2ASMN1; SMN2MAPK1

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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 MAPT 4635/4885MEN1 4112/4885KMT2A 3293/4885

“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.