SCHEMBL3074852

SCHEMBL3074852

Clc1cccc(-c2noc(-c3cccnc3Cl)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GLA P06280 1/20 0.58
NPC1 O15118 5/20 0.58
MAPT P10636 5/20 0.58
TP53 P04637 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TSHR P16473 3/20 0.58
GRM5 P41594 3/20 0.58
MITF O75030 1/20 0.58
PKM P14618 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL13141517 0.88 RAB9A (0.57) RAB9AKMT2AMEN1GLANPC1
SCHEMBL13141510 0.85 RAB9A (0.58) RAB9AKMT2AMEN1GLANPC1
SCHEMBL13141518 0.84 RAB9A (0.54) RAB9AKMT2AMEN1GLANPC1
SCHEMBL60983 0.83 MAOA (0.65) RAB9AKMT2AMEN1GLANPC1
SCHEMBL18950881 0.83 S1PR1 (0.53) RAB9AKMT2AMEN1GLANPC1
SCHEMBL13141513 0.83 SMN1; SMN2 (0.56) RAB9AKMT2AMEN1GLANPC1
SCHEMBL20247083 0.82 RAB9A (0.50) RAB9AKMT2AMEN1GLANPC1
SCHEMBL9264031 0.81 RAB9A (0.66) RAB9AKMT2AMEN1GLANPC1
SCHEMBL13141497 0.80 RAB9A (0.50) RAB9AKMT2AMEN1GLANPC1
SCHEMBL13141499 0.80 RAB9A (0.50) RAB9AKMT2AMEN1GLANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES WU ZHICAI 2010-09-09 US disclosed
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES WU ZHICAI 2010-09-09 US disclosed
EP-2211619-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
WO-2009051705-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2009-04-23 WO disclosed
WO-2009051705-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2009-04-23 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-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 RAB9A 2870/4885KMT2A 2925/4885MEN1 4620/4885

“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.