SCHEMBL2453490

SCHEMBL2453490

CC1CC(c2nc3cc(I)ccc3[nH]2)N(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
PRMT5 O14744 1/20 0.35
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
PRCP P42785 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2B P41595 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL2451189 1.00 KCNH2 (0.35) KCNH2PRMT5HCRTR1HCRTR2PRCP
SCHEMBL14655207 1.00 KCNH2 (0.35) KCNH2PRMT5HCRTR1HCRTR2PRCP
SCHEMBL14841827 0.85 PARP1 (0.37) KCNH2HCRTR1HCRTR2CYP2C9
SCHEMBL12333084 0.85 PARP1 (0.37) KCNH2HCRTR1HCRTR2CYP2C9
SCHEMBL2386860 0.85 PARP1 (0.37) KCNH2HCRTR1HCRTR2CYP2C9
SCHEMBL14655351 0.83 CYP2C9 (0.46) KCNH2PRCPCYP2C9
SCHEMBL14655274 0.83 CYP2C9 (0.46) KCNH2PRCPCYP2C9
SCHEMBL14841664 0.83 CYP2C9 (0.46) KCNH2PRCPCYP2C9
SCHEMBL14841275 0.83 KMT2A (0.38) KCNH2HCRTR1HCRTR2CYP2C9HTR2B
SCHEMBL14655245 0.83 KMT2A (0.38) KCNH2HCRTR1HCRTR2CYP2C9HTR2B

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-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 EP disclosed
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO 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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP KCNH2 2848/4885PRMT5 1153/4885HCRTR1 551/4885

“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.