SCHEMBL9903595

SCHEMBL9903595

CC1CN(C(=O)O)Cc2scc(-c3ccccc3F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GHSR Q92847 1/20 0.32
FAAH O00519 1/20 0.32
PAX8 Q06710 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
FKBP1A P62942 1/20 0.32
RIPK1 Q13546 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
SCHEMBL9903489 1.00 GRM2 (0.38) GRM2SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL9903744 0.86 BRD4 (0.40) GRM2SMN1; SMN2
SCHEMBL9902355 0.82 GRM2 (0.39) GRM2SMN1; SMN2PAX8KDM4ERIPK1
SCHEMBL9903679 0.82 GRM2 (0.39) GRM2SMN1; SMN2PAX8KDM4ERIPK1
SCHEMBL9903354 0.77 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HPGDNPC1PKM
SCHEMBL9903873 0.75 SMN1; SMN2 (0.32) SMN1; SMN2HPGDFKBP1A
SCHEMBL9903657 0.74 GLRA1 (0.36) SMN1; SMN2KMT2A
SCHEMBL9903405 0.74 GPR35 (0.35) SMN1; SMN2
SCHEMBL9902728 0.74 GLRA1 (0.36) SMN1; SMN2KMT2A
SCHEMBL9903307 0.74 GPR35 (0.35) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
EP-2463290-B1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-02 US disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 EP 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-20120196848-A1 THIENOOXAZEPINE DERIVATIVE HTR2C, HTR2B, HTR2A GRM2 147/4885SMN1; SMN2 3302/4885ALDH1A1 1712/4885

“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.