SCHEMBL13522993

SCHEMBL13522993

CCNc1c([N+](=O)[O-])c(Br)nn1CCCOC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 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
SCHEMBL2926366 0.86 SMN1; SMN2 (0.34) SMN1; SMN2CNR1CNR2ALDH1A1LMNA
SCHEMBL2930475 0.85 SMN1; SMN2 (0.39) SMN1; SMN2CNR1CNR2ALDH1A1NPC1
SCHEMBL27603443 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5409719 0.81 SMN1; SMN2 (0.41) SMN1; SMN2CNR1CNR2ALDH1A1HTT
SCHEMBL2923471 0.80 SMN1; SMN2 (0.35) SMN1; SMN2CNR1CNR2ALDH1A1NPC1
SCHEMBL5423046 0.79 ALDH1A1 (0.37) CNR1CNR2ALDH1A1NPC1RAB9A
SCHEMBL4180955 0.76 KDM4E (0.31) ALDH1A1LMNA
SCHEMBL5416063 0.76 KDM4E (0.43) SMN1; SMN2ALDH1A1HTTLMNAMAPT
SCHEMBL8920720 0.75 MAPT (0.41) SMN1; SMN2ALDH1A1HTTLMNAMAPT
SCHEMBL4193744 0.73 ALDH1A1 (0.37) SMN1; SMN2CNR1CNR2ALDH1A1HTT

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-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. 2008-03-20 US disclosed
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. 2008-03-20 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-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 SMN1; SMN2 4116/4885CNR1 4800/4885CNR2 4676/4885

“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.