SCHEMBL9902850

SCHEMBL9902850

COc1cccc(-c2csc3c2OC(C)CN(C(=O)OC(C)(C)C)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
MGAT2 Q10469 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP30 Q70CQ3 1/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
HPGD P15428 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TSHR P16473 4/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39

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
Hydrochloric Acid SCHEMBL11893704 0.99 ABL1 (0.42) ABL1EGFRSRCABL2MGAT2
SCHEMBL9902640 0.88 BRD4 (0.40) USP30BRD4CREBBPTP53MKNK1
SCHEMBL9903367 0.88 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHSD17B10HPGD
SCHEMBL9903744 0.79 BRD4 (0.40) MAPTUSP30BRD4CREBBPSMN1; SMN2
SCHEMBL9902442 0.77 BRD4 (0.37) USP30BRD4CREBBPSMN1; SMN2
SCHEMBL9903900 0.75 NAMPT (0.37) BRD4CREBBPSMN1; SMN2
SCHEMBL9903184 0.74 BRD4 (0.36) ALDH1A1MAPTUSP30BRD4CREBBP
SCHEMBL9903797 0.74 BRD4 (0.36) MAPTUSP30BRD4CREBBP
SCHEMBL9903679 0.74 GRM2 (0.39) SMN1; SMN2GRM2
SCHEMBL9902355 0.74 GRM2 (0.39) SMN1; SMN2GRM2

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 ABL1 1022/4885EGFR 2580/4885SRC 1756/4885

“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.