Sugi Predict

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SCHEMBL4477249

SCHEMBL4477249

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc3c2OCCN3C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ STS P08842 3/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL4480312 0.84 BACE1 (0.44) MEN1KMT2ASMN1; SMN2USP30HTT
SCHEMBL4174667 0.83 MEN1 (0.44) MEN1KMT2ASMN1; SMN2USP2STS
SCHEMBL4489616 0.80 HTR6 (0.60) STS
SCHEMBL4467448 0.79 MEN1 (0.41) MEN1KMT2ASMN1; SMN2USP2STS
SCHEMBL24770356 0.77 NOTUM (0.37) MEN1KMT2ASMN1; SMN2USP2STS
SCHEMBL4482859 0.75 BACE1 (0.44) MEN1KMT2ASMN1; SMN2USP30HTT
SCHEMBL4496217 0.75 HTR6 (0.50) STSGPR119
SCHEMBL4493754 0.74 BACE1 (0.44) MEN1KMT2AUSP30NPSR1SMARCA2
SCHEMBL4492788 0.74 BACE1 (0.44) MEN1KMT2ASMN1; SMN2USP30NPSR1
SCHEMBL23784871 0.74 MAPT (0.57) MEN1KMT2ASMN1; SMN2STSHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 — — US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 — — US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 — — US disclosed
EP-1506179-B1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2006-01-25 — — EP disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 — — US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 — — US disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 — — US 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 (4 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-20090325950-A1 Benzoxazine derivatives and uses thereof F12, CYP4X1, CYP3A5 MEN1 998/4885KMT2A 2087/4885SMN1; SMN2 2523/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 MEN1 945/4885KMT2A 1849/4885SMN1; SMN2 2602/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH MEN1 2080/4885KMT2A 1965/4885SMN1; SMN2 3073/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 MEN1 998/4885KMT2A 2087/4885SMN1; SMN2 2523/4885

“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.