SCHEMBL13436713

SCHEMBL13436713

Cc1ccc2oc(Nc3ccccc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 2/20 0.66
ALDH1A1 P00352 1/20 0.66
PKM P14618 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAPT P10636 3/20 0.64
KMT2A Q03164 2/20 0.60
AGTR1 P30556 1/20 0.60
OPRK1 P41145 1/20 0.60
ROCK1 Q13464 1/20 0.60
HDAC6 Q9UBN7 2/20 0.59
CASP3 P42574 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL3475856 0.88 FAAH (0.65) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL8370275 0.88 NPC1 (0.66) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL1748093 0.85 MAPT (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14867035 0.85 MAPT (0.61) RAB9ANPC1MAPTKMT2AAGTR1
SCHEMBL33525283 0.85 IL6 (0.65) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL3956383 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL14867049 0.81 NPC1 (0.66) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL3474865 0.81 GAA (0.66) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL28837682 0.81 NPC1 (0.66) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL25787374 0.81 MAPT (0.53) RAB9ANPC1SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
WO-2017015451-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-01-26 WO disclosed
WO-2016183266-A1 EHPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 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 (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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 RAB9A 1332/4885NPC1 607/4885SMN1; SMN2 4641/4885

“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.