SCHEMBL9902244

SCHEMBL9902244

C=Cc1csc2c1OC(C)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
PDE4B Q07343 2/20 0.34
NAMPT P43490 1/20 0.34
NR1H2 P55055 2/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
ADORA1 P30542 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
USP30 Q70CQ3 2/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 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
SCHEMBL9902442 0.84 BRD4 (0.37) BRD4CREBBPPDE4BNAMPTNR1H2
SCHEMBL9902853 0.83 BRD4 (0.35) BRD4CREBBPPDE4BNAMPTNR1H2
SCHEMBL9903900 0.82 NAMPT (0.37) BRD4CREBBPPDE4BNAMPTNR1H2
SCHEMBL9903797 0.81 BRD4 (0.36) BRD4CREBBPPDE4BNAMPTNR1H2
SCHEMBL9903184 0.81 BRD4 (0.36) BRD4CREBBPPDE4BNAMPTNR1H2
Hydrochloric Acid SCHEMBL11894045 0.80 BRD4 (0.35) BRD4CREBBPPDE4BNAMPTNR1H2
Hydrochloric Acid SCHEMBL11893788 0.80 BRD4 (0.35) BRD4CREBBPPDE4BNAMPTNR1H2
SCHEMBL9903744 0.76 BRD4 (0.40) BRD4CREBBPNAMPTSMN1; SMN2RORC
SCHEMBL9902640 0.74 BRD4 (0.40) BRD4CREBBPGPR119USP30
SCHEMBL9902850 0.74 ABL1 (0.43) BRD4CREBBPSMN1; SMN2USP30

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 BRD4 550/4885CREBBP 758/4885PDE4B 590/4885

“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.