SCHEMBL10170969

SCHEMBL10170969

O=c1c2ccc(Br)cc2oc2ccc(I)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
GFER P55789 1/20 0.43
MAOA P21397 4/20 0.41
PIM1 P11309 1/20 0.41
TTR P02766 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
PGAM1 P18669 1/20 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
SCHEMBL2000388 0.92 PIM1 (0.49) NPC1MAPTSMN1; SMN2RAB9AGFER
SCHEMBL47040 0.88 PIM1 (0.51) CYP11B1CYP11B2NPC1MAPTSMN1; SMN2
SCHEMBL30593469 0.88 PIM1 (0.51) CYP11B1CYP11B2NPC1MAPTSMN1; SMN2
SCHEMBL18820600 0.86 PIM1 (0.39) CYP11B1CYP11B2NPC1MAPTSMN1; SMN2
SCHEMBL30923496 0.84 CYP11B1 (0.54) CYP11B1CYP11B2NPC1MAPTSMN1; SMN2
SCHEMBL17752292 0.84 CYP11B1 (0.54) CYP11B1CYP11B2NPC1MAPTSMN1; SMN2
SCHEMBL13911864 0.84 NPC1 (0.57) NPC1MAPTSMN1; SMN2RAB9AGFER
SCHEMBL2253956 0.81 PIM1 (0.46) NPC1MAPTSMN1; SMN2RAB9APIM1
SCHEMBL15158528 0.81 MAPT (0.40) CYP11B1CYP11B2MAPTSMN1; SMN2PIM1
SCHEMBL21327540 0.81 MAOA (0.66) MAPTSMN1; SMN2MAOAPIM1KDM4E

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 10 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
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO 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
WO-2010111534-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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 (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 CYP11B1 726/4885CYP11B2 1081/4885NPC1 74/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 CYP11B1 966/4885CYP11B2 1436/4885NPC1 54/4885

“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.