SCHEMBL4449842

SCHEMBL4449842

N#Cc1ccc(Cc2nnc(-c3cccc(CC(N)=O)c3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA13 Q8N1Q1 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ APLNR P35414 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL4449845 0.83 RAB9A (0.51) TSHRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL4447240 0.78 HPGD (0.43) TSHRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2440090 0.77 HDAC6 (0.56) TSHRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2710881 0.75 RAB9A (0.51) TSHRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2729058 0.72 GSK3B (0.52) TSHRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2727659 0.72 TSHR (0.51) TSHRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL6714339 0.70 MAPK8 (0.56) LMNATDP2
SCHEMBL30489963 0.70 MAPK8 (0.56) LMNATDP2
SCHEMBL4703302 0.70 CA2 (0.57) CA2HTT
SCHEMBL4256110 0.69 HDAC6 (0.54) TSHRSMN1; SMN2RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — US disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 TSHR 4811/4885SMN1; SMN2 1983/4885RAB9A 2589/4885

“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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