SCHEMBL5658138

SCHEMBL5658138

O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2ncccc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.72
KMT2A Q03164 6/20 0.72
MEN1 O00255 5/20 0.72
MAPT P10636 4/20 0.72
POLB P06746 3/20 0.72
RAB9A P51151 13/20 0.66
KDM4E B2RXH2 3/20 0.66
SMN1; SMN2 Q16637 5/20 0.65
TP53 P04637 1/20 0.64
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NAMPT P43490 1/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
PABPC1 P11940 1/20 0.54

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
SCHEMBL31054249 0.85 NPC1 (1.00) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL651929 0.85 NPC1 (1.00) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL107421 0.81 RAB9A (1.00) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL5655823 0.80 NPC1 (0.88) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL5658310 0.80 NPC1 (0.88) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL16620937 0.77 HSF1 (0.89) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL12010919 0.77 RAB9A (0.84) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL29639124 0.76 NPC1 (0.81) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL28741230 0.76 NPC1 (0.81) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL5661569 0.76 NPC1 (0.81) NPC1KMT2AMEN1MAPTPOLB

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 NPC1 959/4885KMT2A 4465/4885MEN1 4770/4885

“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.