SCHEMBL4449845

SCHEMBL4449845

N#Cc1ccc(Cc2nnc(-c3cccc(CCN)c3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ 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 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ APLNR P35414 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ CTSV O60911 1/20 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
SCHEMBL4449842 0.83 TSHR (0.48) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4447249 0.76 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL2727659 0.74 TSHR (0.51) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL2440090 0.73 HDAC6 (0.56) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL2710881 0.71 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11006387 0.70 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL2189674 0.69 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL28345090 0.69 KMT2A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL2004401 0.68 ADRA2C (0.54) SMN1; SMN2KMT2ALOXL2ADRA2C
SCHEMBL6328186 0.68 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDTSHR

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 RAB9A 2589/4885NPC1 211/4885SMN1; SMN2 1983/4885

“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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