SCHEMBL13360508

SCHEMBL13360508

O=C(NI)c1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.60
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
EGFR P00533 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MDM4 O15151 1/20 0.54
TP53 P04637 1/20 0.54
MDM2 Q00987 1/20 0.54
NPC1 O15118 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNE1 P15382 2/20 0.51
KCNQ1 P51787 2/20 0.51
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50

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
SCHEMBL1725139 0.82 NAPRT (0.62) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL103123 0.81 RAB9A (0.61) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL931481 0.81 NAPRT (0.60) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL31295356 0.81 NAPRT (0.60) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL2981251 0.81 NAPRT (0.60) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL13360579 0.79 NAPRT (0.69) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL5215207 0.78 KCNQ3 (0.81) RAB9ASMN1; SMN2KMT2AMEN1KCNQ3
SCHEMBL7440808 0.77 NAPRT (0.72) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL29760376 0.77 NAPRT (0.72) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR
SCHEMBL17801 0.77 NAPRT (0.72) NAPRTRAB9ASMN1; SMN2L3MBTL1EGFR

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-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 NAPRT 317/4885RAB9A 2586/4885SMN1; SMN2 4749/4885

“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.