SCHEMBL5471671

SCHEMBL5471671

CC1Oc2cc3c(cc2NC1=O)C(N(CCCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCC3

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.40
MTNR1A P48039 7/20 0.34
MTNR1B P49286 7/20 0.34
NQO2 P16083 6/20 0.34
CREBBP Q92793 1/20 0.32
SMYD3 Q9H7B4 2/20 0.31
CXCR4 P61073 1/20 0.31

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
SCHEMBL6608288 0.92 CXCR4 (0.37) CREBBPSMYD3CXCR4
SCHEMBL6612191 0.91 CXCR4 (0.37) CREBBPSMYD3CXCR4
SCHEMBL5188359 0.88 TMEM97 (0.32) SMYD3
SCHEMBL5189243 0.88 TMEM97 (0.32) SMYD3
SCHEMBL6281965 0.88 TMEM97 (0.32) SMYD3
SCHEMBL5188625 0.88 TMEM97 (0.32) SMYD3
SCHEMBL6302745 0.86 TMEM97 (0.31) SMYD3
SCHEMBL6302937 0.85 TMEM97 (0.31)
SCHEMBL6613807 0.84 CXCR4 (0.37) CXCR4
SCHEMBL5473257 0.83 CA14 (0.40) CA14MTNR1AMTNR1BNQO2CXCR4

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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
US-7141566-B1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-28 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 (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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents CYP3A5, XDH, CYP4Z1 CA14 2410/4885MTNR1A 1044/4885MTNR1B 939/4885

“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.