SCHEMBL12885877

SCHEMBL12885877

CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.41
TYR P14679 1/20 0.40
ESR1 P03372 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
DPP4 P27487 1/20 0.38
STAT3 P40763 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL12869665 1.00 KMT2A (0.43) KMT2APKMHPGDMEN1NPC1
SCHEMBL1862404 0.82 KMT2A (0.50) KMT2APKMHPGDMEN1NPC1
SCHEMBL1862405 0.82 KMT2A (0.50) KMT2APKMHPGDMEN1NPC1
SCHEMBL12869664 0.82 TYR (0.54) KMT2APKMHPGDMEN1NPC1
SCHEMBL14508736 0.82 TYR (0.54) KMT2APKMHPGDMEN1NPC1
SCHEMBL18538456 0.82 ALDH1A1 (0.48) KMT2AHPGDMEN1NPC1MAPT
SCHEMBL2954024 0.82 ESR1 (0.46) PKMESR1DPP4CYP3A4
SCHEMBL13791030 0.82 ALDH1A1 (0.48) KMT2AHPGDMEN1NPC1MAPT
SCHEMBL2954027 0.82 ESR1 (0.46) PKMESR1DPP4CYP3A4
SCHEMBL18538454 0.82 CYP1A1 (0.50) HPGDNPSR1MAPTALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A KMT2A 1908/4885PKM 1692/4885HPGD 4832/4885

“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.