SCHEMBL2110044

SCHEMBL2110044

[c]1nc(Oc2ccccc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
TSHR P16473 1/20 0.42
BCAT2 O15382 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2095700 0.82 MEN1 (0.53) TSHRHTTALDH1A1NPC1RAB9A
SCHEMBL2096576 0.81 HAO1 (0.43) LTA4HTSHRHAO1HTTALDH1A1
SCHEMBL2092777 0.81 MEN1 (0.44) LTA4HHAO1HTTALDH1A1NPC1
SCHEMBL2095972 0.81 MEN1 (0.42) HTTALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2088671 0.78 LMNA (0.40) LTA4HNPC1RAB9AMAPK1MAPT
SCHEMBL2090235 0.77 LMNA (0.35) TSHRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL2752051 0.73 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL2094912 0.73 HAO1 (0.47) HAO1KMT2AMEN1KDM4E
SCHEMBL2752261 0.73 HAO1 (0.47) HAO1HTTALDH1A1NPC1RAB9A
SCHEMBL2753073 0.73 HAO1 (0.35) HAO1

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 11 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
WO-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO 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
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP 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
EP-2166843-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-03-31 EP disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 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 (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 LTA4H 2765/4885TSHR 4401/4885BCAT2 252/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 LTA4H 2765/4885TSHR 4401/4885BCAT2 252/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 LTA4H 2765/4885TSHR 4401/4885BCAT2 252/4885

“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.