SCHEMBL3228358

SCHEMBL3228358

Cc1c(C(C)(C)C)sc(=N)n1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F12 P00748 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
SCHEMBL12733730 0.73 CNR2 (0.41) CNR2NPC1RAB9ARXFP1
SCHEMBL4902793 0.72 CNR2 (0.36) CNR2
SCHEMBL15360059 0.70
SCHEMBL4901267 0.66 CNR2 (0.49) CNR2
SCHEMBL15357747 0.60
SCHEMBL13400738 0.57 KMT2A (0.37)
SCHEMBL21132826 0.55 CA2 (0.33)
SCHEMBL12321814 0.53 KMT2A (0.34)
SCHEMBL8744680 0.52 KMT2A (0.33)
SCHEMBL12856714 0.52 KMT2A (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010008585-A2 NUCLEASE COMPOSITIONS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-21 WO claimed
US-20100222410-A1 Nuclease compositions and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-02 US disclosed
US-20100222410-A1 Nuclease compositions and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-02 US disclosed
WO-2010008585-A2 NUCLEASE COMPOSITIONS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-21 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1820504-A1 IMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-08-22 EP 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CNR2 2/4885NPC1 1485/4885RAB9A 841/4885
US-20100222410-A1 Nuclease compositions and methods YBX3, RNASEL, RNASEH1 CNR2 4853/4885NPC1 4644/4885RAB9A 4456/4885

“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.