SCHEMBL4097112

SCHEMBL4097112

O=S(=O)(O)/C=C/c1nn(Cc2ccccc2)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FABP4 P15090 5/20 0.41
FABP3 P05413 1/20 0.38
SLC2A1 P11166 1/20 0.38
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
KCNK3 O14649 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4097113 1.00 MEN1 (0.43) MEN1KMT2AFABP4FABP3SLC2A1
SCHEMBL3889267 0.84 HDAC10 (0.35) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL3889272 0.84 HDAC10 (0.35) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL5285565 0.83 HDAC6 (0.36) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL3894535 0.83 HDAC6 (0.36) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL3888576 0.82 HTR7 (0.33) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL182481 0.81 MEN1 (0.49) MEN1KMT2AFABP4FABP3SLC2A1
SCHEMBL13871731 0.80 CNR2 (0.49) MEN1KMT2AFABP4LMNAPDE4A
SCHEMBL14003168 0.80 CNR2 (0.49) MEN1KMT2AFABP4LMNAPDE4A
SCHEMBL10885814 0.78 MEN1 (0.46) MEN1KMT2AFABP4FABP3SLC2A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS LAGU BHARAT 2009-04-16 US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 WO disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 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 (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-20050228034-A1 Tetrahydro-indazole cannabinoid modulators CNR2, CNR1, GPR18 MEN1 3259/4885KMT2A 2618/4885FABP4 1773/4885
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS CNR2, CNR1, GPR18 MEN1 3259/4885KMT2A 2618/4885FABP4 1773/4885

“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.