SCHEMBL840431

SCHEMBL840431

CCn1nc(C)c(C(=O)O)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
APAF1 O14727 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK5 Q16478 1/20 0.33

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
SCHEMBL8306766 0.81 POLB (0.60) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL840368 0.81 HPGD (0.39) POLBKMT2AALDH1A1MAPK1LMNA
SCHEMBL19668771 0.78 MAPK1 (0.48) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL26924428 0.74 NPC1 (0.44) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL20378348 0.70 POLB (0.57) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL17917631 0.69 ALDH1A1 (0.48) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL20610900 0.68 ADORA2A (0.39) GAAADORA2AADORA2BLMNASMN1; SMN2
SCHEMBL31150294 0.68 POLB (0.42) POLBKMT2AGAAALDH1A1NPC1
SCHEMBL20551370 0.68 MAPK1 (0.46) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL28015987 0.68 POLB (0.54) POLBMEN1KMT2AGAAALDH1A1

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
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2396329-A1 Compounds for the treatment of hepatitis c Bristol-Myers Squibb Company (US) 2011-12-21 EP disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 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-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 POLB 1276/4885MEN1 4763/4885KMT2A 4456/4885

“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.