SCHEMBL2068841

SCHEMBL2068841

COc1ccc(CN(CCN/C(=N/[N+](=O)[O-])SC)CC2CCOC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.34
PDE1B Q01064 3/20 0.34
MCHR1 Q99705 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
NR1D1 P20393 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL2069488 0.75 BMP1 (0.40) OPRK1OPRM1CYP1A2CYP2D6CYP3A4
SCHEMBL13872488 0.74 RORC (0.34) RORCCYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL31305923 0.61 APLNR (0.46) ALDH1A1SMN1; SMN2MAPT
SCHEMBL8016500 0.61 NAMPT (0.32)
SCHEMBL8016496 0.61 NAMPT (0.32)
SCHEMBL9050890 0.60 ALDH1A1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL22340857 0.60 PTGES (0.50) RORCNPC1RAB9ASMN1; SMN2
SCHEMBL29336125 0.59 RORC (0.50) RORC
SCHEMBL8545413 0.59 PARP1 (0.33)
SCHEMBL8545417 0.59 PARP1 (0.33)

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-7977332-B2 Insecticidal N-(heteroarylalkyl)alkanediamine derivatives FMC CORPORATION (US) 2011-07-12 US disclosed
US-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives FMC CORPORATION 2011-03-17 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-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives DDT, RABL6, ACHE RORC 3175/4885OPRK1 734/4885OPRM1 332/4885

“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.