SCHEMBL10171010

SCHEMBL10171010

O=C1Nc2ccc(Br)cc2Oc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
CES1 P23141 1/20 0.54
AHR P35869 3/20 0.47
MITF O75030 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LRRK2 Q5S007 3/20 0.43
LMNA P02545 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PLK4 O00444 1/20 0.43
RET P07949 1/20 0.42
HSP90AA1 P07900 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGTR1 P30556 1/20 0.41
CCNB2 O95067 2/20 0.40

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
SCHEMBL25666653 0.90 ALDH1A1 (0.57) TGM2CES1MITFALDH1A1HTT
SCHEMBL25666656 0.90 ALDH1A1 (0.54) TGM2CES1AHRMITFALDH1A1
SCHEMBL26351818 0.86 ACE2 (0.50) TGM2CES1AHRMITFALDH1A1
SCHEMBL21333465 0.83 ABL1 (0.58) CES1
SCHEMBL21333746 0.83 ABL1 (0.58) CES1
SCHEMBL25666641 0.81 TGM2 (0.49) TGM2CES1AHRMITFALDH1A1
SCHEMBL23242600 0.80 MAPT (0.49) TGM2CES1MITFALDH1A1HTT
SCHEMBL23242613 0.80 MAPT (0.49) TGM2CES1MITFALDH1A1HTT
SCHEMBL23242576 0.80 TGM2 (0.44) TGM2CES1AHRALDH1A1LRRK2
SCHEMBL29800908 0.80 MAPT (0.49) TGM2CES1MITFALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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 (2 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC TGM2 217/4885CES1 61/4885AHR 1447/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 TGM2 350/4885CES1 59/4885AHR 942/4885

“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.