SCHEMBL1914063

SCHEMBL1914063

Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]c1I

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGES O14684 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL1294005 0.89 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL1294003 0.89 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL17396071 0.88 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL17396070 0.88 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL24733173 0.87 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL15367045 0.85 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL12066763 0.85 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL15773460 0.85 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL28152177 0.85 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL1914149 0.83 HCRTR1 (0.38) —

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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 — — US disclosed
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 — — US disclosed
WO-2011079327-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 — — WO disclosed
WO-2011079327-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 — — 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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 ALDH1A1 1562/4885TSHR 1754/4885L3MBTL1 343/4885

“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.

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