SCHEMBL3604857

SCHEMBL3604857

Nc1cccc2c1COC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
HTR5A P47898 4/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
CD44 P16070 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
BRD4 O60885 1/20 0.31
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
IKZF1 Q13422 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
IKZF3 Q9UKT9 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
SCHEMBL3604854 0.80 CYP11B1 (0.36) CYP11B1CYP11B2MBALDH1A1
SCHEMBL27076380 0.79 HTR5A (0.42) CYP11B1CYP11B2HTR5APDE3BPDE3A
SCHEMBL4613940 0.79 CDK5 (0.40) CYP11B1CYP11B2MB
SCHEMBL20597396 0.79 PARP1 (0.38) PARP1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL31180313 0.79 HTR5A (0.44) CYP11B1CYP11B2HTR5AHTR1AHTR1D
SCHEMBL436138 0.79 HTR5A (0.42) PARP1CYP11B1CYP11B2HTR5ABRD4
SCHEMBL14728003 0.75 AR (0.38) PARP1CYP11B1CYP11B2HTR1AHTR2A
SCHEMBL17645956 0.73 CYP11B1 (0.33) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL836954 0.72 AHR (0.48) PARP1HTR1AHTR2A
SCHEMBL3605242 0.71 MAOA (0.37) PARP1CYP11B1CYP11B2HTR5ACD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (2 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PARP1 1468/4885CYP11B1 162/4885CYP11B2 165/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 PARP1 2715/4885CYP11B1 447/4885CYP11B2 584/4885

“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.