SCHEMBL586456

SCHEMBL586456

COc1ccc2c(n1)N(C1=CC=C1)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 0.32
CASP6 P55212 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL1149585 0.79 GAA (0.51) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL586455 0.69 OPRL1 (0.47) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL30154353 0.62 DRD2 (0.43) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL1436304 0.62 DRD2 (0.43) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL8544919 0.61 GAA (0.49) HTR2AGAAALDH1A1HPGDKDM4E
SCHEMBL910245 0.61 BRD4 (0.34) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL335895 0.61 HTR2C (0.36) HTR2CHTR2AHTR2BGAASMN1; SMN2
SCHEMBL3332876 0.61 HTR2C (0.36) HTR2CHTR2AHTR2BGAASMN1; SMN2
SCHEMBL335894 0.61 HTR2C (0.36) HTR2CHTR2AHTR2BGAASMN1; SMN2
SCHEMBL8513409 0.60 MTNR1A (0.41) MTNR1AMTNR1B

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-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 HTR2C 3953/4885HTR2A 4109/4885HTR2B 4379/4885

“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.