SCHEMBL3090990

SCHEMBL3090990

Fc1cccc(-c2cc(-c3cccnc3Cl)[nH]n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ ALOX15 P16050 5/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ NFKB1 P19838 2/20 0.62
▸ NFKB2 Q00653 2/20 0.62
▸ RELA Q04206 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL13141705 0.84 MAPT (0.56) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL28357121 0.80 MAP4K4 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8888496 0.75 RAB9A (0.70) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL13141682 0.75 MAPT (0.51) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL13141680 0.75 ALOX15 (0.54) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL27619203 0.75 MAPT (0.59) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL2666724 0.74 ALOX15 (0.66) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL27604947 0.74 MAPT (0.54) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL12767847 0.73 ALOX15 (0.61) MAPTALOX15SMN1; SMN2LMNANFKB1
SCHEMBL13141708 0.72 MAPT (0.50) MAPTALOX15SMN1; SMN2LMNANFKB1

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 6 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
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 MAPT 4681/4885ALOX15 597/4885SMN1; SMN2 2684/4885

“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.

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