SCHEMBL6460776

SCHEMBL6460776

O=C(NNC(=O)c1c(O)ccc2ccccc12)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
RAB9A P51151 8/20 0.59
NPC1 O15118 4/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KCNJ11 Q14654 1/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL12857910 0.78 MEN1 (0.72) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL6526653 0.78 HTT (0.54) MEN1KMT2ACYP1A2LMNAGAA
SCHEMBL1858111 0.76 RAB9A (0.78) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL6448829 0.76 LMNA (0.50) MEN1KMT2ALMNAGAAMAPT
SCHEMBL8358481 0.75 ALOX15 (0.54) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL7189830 0.74 ABCG2 (0.55) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL27590288 0.74 PTGS2 (0.50) MEN1KMT2ACYP3A4L3MBTL1LMNA
SCHEMBL6470479 0.73 MEN1 (0.52) MEN1KMT2ARAB9ANPC1CYP3A4
SCHEMBL6451275 0.73 MEN1 (0.71) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL7175081 0.73 RAB9A (0.53) MEN1KMT2ARAB9ANPC1KCNJ11

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MEN1 3473/4885KMT2A 3600/4885RAB9A 2483/4885

“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.