SCHEMBL4554969

SCHEMBL4554969

Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.74
RAB9A P51151 12/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
MAPT P10636 5/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 3/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
HPGD P15428 1/20 0.69
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
USP2 O75604 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TRPV1 Q8NER1 1/20 0.65
ATM Q13315 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL16946642 0.91 RAB9A (0.81) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12692443 0.85 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4548126 0.84 NPC1 (0.83) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL14350873 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6848444 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL14499167 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12610862 0.82 CYP1A2 (0.72) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5861384 0.80 CYP1A2 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22648578 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22648402 0.80 TSHR (0.77) NPC1RAB9ASMN1; SMN2MAPTMEN1

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-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 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-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT NPC1 1310/4885RAB9A 2490/4885SMN1; SMN2 850/4885

“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.