SCHEMBL17552159

SCHEMBL17552159

CC(C)(C)c1ccc(OCC(=O)Nc2nc3[nH]cnc3c(=O)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.48
HCAR2 Q8TDS4 1/20 0.46
MAPT P10636 3/20 0.44
HIF1A Q16665 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.42
ALOX12 P18054 1/20 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
SCHEMBL1970068 0.85 NPC1 (0.58) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL12227601 0.82 RAB9A (0.51) TRPV1MAPTNPC1RAB9ALMNA
SCHEMBL3236094 0.81 ALOX15 (0.58) TRPV1MAPTNPC1RAB9AALDH1A1
SCHEMBL12227604 0.76 GDA (0.45) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL6937511 0.75 KMT2A (0.47) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL16573451 0.74 SMN1; SMN2 (0.59) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL12227599 0.73 GDA (0.45) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL28469810 0.73 GDA (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL219477 0.72 GDA (0.62) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL30208590 0.71 TERT (0.38) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060286-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS NIMBLEGEN SYSTEMS GMBH (DE) 2016-03-03 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-20160060286-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS CRY2, PRXL2A, MGMT TRPV1 560/4885HCAR2 4270/4885MAPT 3600/4885

“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.