SCHEMBL13360579

SCHEMBL13360579

O=C(I)c1ccc(Cl)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.69
DGAT1 O75907 2/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
EGFR P00533 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47
BACE1 P56817 1/20 0.47
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7440808 0.84 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL17801 0.84 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL29760376 0.84 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
6-Chloronicotinic Acid SCHEMBL29524158 0.82 NAPRT (1.00) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL3748187 0.82 NAPRT (0.69) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
Hydrochloric Acid SCHEMBL2928501 0.82 NAPRT (0.69) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
6-Chloronicotinic Acid SCHEMBL104580 0.82 NAPRT (1.00) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL388168 0.80 NAPRT (0.67) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL10579409 0.80 NAPRT (0.67) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
6-Chloronicotinic Acid SCHEMBL523893 0.80 NAPRT (0.96) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
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
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 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 (2 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 317/4885DGAT1 2/4885RAB9A 2586/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT NAPRT 15/4885DGAT1 2461/4885RAB9A 1717/4885

“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.