SCHEMBL2344229

SCHEMBL2344229

O=C1NC(=O)[C@H](c2cn3c4c(cccc24)CC3)[C@H]1c1c[nH]c2ccccc12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.88
EIF5B O60841 1/20 0.88
MET P08581 1/20 0.88
HMOX2 P30519 1/20 0.88
IDO1 P14902 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
BRD4 O60885 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
SCHEMBL3689556 1.00 OPA1 (0.88) OPA1EIF5BMETHMOX2IDO1
SCHEMBL3689562 1.00 OPA1 (0.88) OPA1EIF5BMETHMOX2IDO1
SCHEMBL12449597 1.00 OPA1 (0.88) OPA1EIF5BMETHMOX2IDO1
SCHEMBL12808552 1.00 OPA1 (0.88) OPA1EIF5BMETHMOX2IDO1
SCHEMBL13241026 1.00 OPA1 (0.88) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL14865187 0.94 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL224883 0.94 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL1395795 0.94 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL44902 0.94 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL45306 0.94 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392574-B1 Indolyl pyrrolidines for the treatment of cancer ARQULE INC (US) 2013-12-18 EP claimed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US claimed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US claimed
EP-2392574-B1 Indolyl pyrrolidines for the treatment of cancer ARQULE INC (US) 2013-12-18 EP disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
EP-2392574-A1 Indolyl pyrrolidines for the treatment of cancer ArQule, Inc. (US) 2011-12-07 EP disclosed
EP-2173748-B1 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE INC (US) 2011-08-31 EP disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 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-20100183603-A1 Compositions and Methods for the Treatment of Cancer MKI67, POLI, DHPS OPA1 225/4885EIF5B 175/4885MET 3192/4885

“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.