SCHEMBL4816828

SCHEMBL4816828

Cc1cccnc1C(=O)/C=C/N(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
HTT P42858 4/20 0.50
GAA P10253 4/20 0.50
LMNA P02545 4/20 0.50
RECQL P46063 2/20 0.49
POLB P06746 3/20 0.47
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL4816834 1.00 MAPT (0.50) MAPTHTTGAALMNARECQL
SCHEMBL4912957 0.83 MAPT (0.53) MAPTHTTGAALMNARECQL
SCHEMBL14033785 0.83 MAPT (0.53) MAPTHTTGAALMNARECQL
SCHEMBL22719324 0.81 ALDH1A1 (0.57) MAPTHTTGAALMNARECQL
SCHEMBL22719323 0.81 ALDH1A1 (0.57) MAPTHTTGAALMNARECQL
SCHEMBL23841243 0.81 MAPT (0.48) MAPTHTTGAALMNARECQL
SCHEMBL14164117 0.79 NFE2L2 (0.51) MAPTHTTGAALMNARECQL
SCHEMBL14277209 0.79 MAPT (0.46) MAPTHTTGAALMNARECQL
SCHEMBL4360134 0.79 NFE2L2 (0.51) MAPTHTTGAALMNARECQL
SCHEMBL13622799 0.79 NFE2L2 (0.51) MAPTHTTGAALMNARECQL

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-7449585-B2 Indazol-3-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-11-11 US disclosed
EP-1687293-B1 INDAZOL-3-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME (GB) 2007-09-26 EP disclosed
US-20070129374-A1 Indazol-3-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (vr1) MERCK SHARP & DOHME LTD. (GB) 2007-06-07 US disclosed
EP-1687293-A1 INDAZOL-3-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049601-A1 INDAZOL-3-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO 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-20070129374-A1 Indazol-3-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (vr1) TRPV1, TRPV3, TRPV2 MAPT 4329/4885HTT 4560/4885GAA 4558/4885

“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.