SCHEMBL2622449

SCHEMBL2622449

C#CC(C)c1ccc2nc(Oc3ccc(OC(C)C)cc3)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
SCN4A P35499 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 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
SCHEMBL4516981 0.88 SMN1; SMN2 (0.37) SMN1; SMN2MEN1ALDH1A1LMNAPOLB
SCHEMBL4519178 0.81 SMN1; SMN2 (0.40) SMN1; SMN2MEN1ALDH1A1LMNAPOLB
SCHEMBL4529521 0.76 TDP1 (0.49) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL2622438 0.76 ACACB (0.39) SMN1; SMN2MEN1ALDH1A1LMNAPOLB
SCHEMBL4519215 0.75 ACACB (0.47) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL4505988 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MEN1ALDH1A1LMNAPOLB
SCHEMBL4516183 0.74 ACACB (0.46) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL4655320 0.74 POLB (0.39) SMN1; SMN2MEN1ALDH1A1LMNAPOLB
SCHEMBL2622431 0.74 L3MBTL1 (0.55) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL4513929 0.72 TDP1 (0.52) SMN1; SMN2LMNAPOLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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 (3 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 SMN1; SMN2 2585/4885MEN1 4221/4885ALDH1A1 1469/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 SMN1; SMN2 2585/4885MEN1 4221/4885ALDH1A1 1469/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 SMN1; SMN2 2585/4885MEN1 4221/4885ALDH1A1 1469/4885

“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.