SCHEMBL4547969

SCHEMBL4547969

O=C(Nc1cccc2oc(-c3ccccc3)nc12)c1cnccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MCL1 Q07820 1/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ USP2 O75604 2/20 0.46

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
SCHEMBL4547971 0.86 BRAF (0.51) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL4547972 0.84 NPC1 (0.50) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL4547968 0.82 PIM1 (0.47) ALDH1A1ALOX15TSHRSMN1; SMN2HDAC3
SCHEMBL1034504 0.77 ALDH1A1 (0.62) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL18257157 0.74 SMN1; SMN2 (0.69) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL18838447 0.74 KDM4E (0.64) ALDH1A1ALOX15TSHRSMN1; SMN2LMNA
SCHEMBL18064949 0.74 MCL1 (0.73) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL1033349 0.74 SMN1; SMN2 (0.60) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL28499435 0.73 SMN1; SMN2 (1.00) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1
SCHEMBL18979807 0.73 ALDH1A1 (0.79) ALDH1A1ALOX15TSHRSMN1; SMN2MCL1

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 ALDH1A1 1335/4885ALOX15 956/4885TSHR 1689/4885

“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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