SCHEMBL1822468

SCHEMBL1822468

Cc1nnc(Cc2cccc(N)c2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PTK2 Q05397 3/20 0.36

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
SCHEMBL1823769 0.84 MAOA (0.41) SMN1; SMN2RAB9AHPGDNPC1MAOA
SCHEMBL21368786 0.82 RAB9A (0.42) SMN1; SMN2RAB9AHPGDNPC1MTNR1A
SCHEMBL1821441 0.81 MAPT (0.44) SMN1; SMN2RAB9AHPGDNPC1MAOA
SCHEMBL14976578 0.81 PTK2 (0.53) SMN1; SMN2RAB9AHPGDNPC1MTNR1A
SCHEMBL31043960 0.80 RAB9A (0.49) SMN1; SMN2RAB9AHPGDNPC1CYP19A1
SCHEMBL12597232 0.79 RAB9A (0.60) SMN1; SMN2RAB9AHPGDNPC1MTNR1A
SCHEMBL12863944 0.78 PTK2 (0.57) SMN1; SMN2RAB9AHPGDMTNR1AMTNR1B
SCHEMBL14976787 0.76 GLS (0.48) SMN1; SMN2RAB9AHPGDNPC1TP53
SCHEMBL1822105 0.75 TSHR (0.49) SMN1; SMN2RAB9ANPC1CYP19A1TSHR
SCHEMBL1819381 0.73 MAOA (0.40) SMN1; SMN2RAB9ANPC1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 — — US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 — — US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 — — 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD SMN1; SMN2 4069/4885RAB9A 628/4885HPGD 4100/4885

“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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