SCHEMBL4547968

SCHEMBL4547968

O=C(Nc1cccc2oc(-c3ccccc3)nc12)c1cscn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ TOP2A P11388 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ CEPT1 Q9Y6K0 1/20 0.39
▸ GRM4 Q14833 2/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 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
SCHEMBL4547970 0.86 TLR7 (0.42) PIM1MAPK10ALDH1A1MAPT
SCHEMBL1937113 0.84 P2RY14 (0.45) PIM1HDAC3HDAC1MAPT
SCHEMBL4547969 0.82 ALDH1A1 (0.60) TOP2ASMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL1034502 0.77 PIM1 (0.48) PIM1ADORA3SMN1; SMN2GAAMAPK10
SCHEMBL19476138 0.76 ALDH1A1 (0.63) PIM1GRM4GRM1ALDH1A1TSHR
SCHEMBL1034271 0.72 PIM1 (0.49) PIM1SMN1; SMN2GAAMAPK10GRM4
SCHEMBL12219989 0.71 GPR35 (0.53) PIM1SMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL1031299 0.70 IRAK4 (0.52) PIM1SMN1; SMN2GAARAB9AALDH1A1
SCHEMBL13626622 0.70 PIM1 (0.59) PIM1SMN1; SMN2GAAGRM4GRM1
SCHEMBL6287453 0.70 HDAC1 (0.68) PIM1MAPK10GRM4GRM1ALDH1A1

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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 — — 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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM1 2571/4885TOP2A 2946/4885ADORA3 2209/4885

“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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