Sugi Predict

Sugi Predict / Compounds / SCHEMBL4891836

SCHEMBL4891836

SCHEMBL4891836

COC(=O)c1cc2c(C(C)C3CO3)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ XDH P47989 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL4899818 0.82 ULK1 (0.49) ULK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL22620594 0.82 ULK1 (0.49) ULK1KDM4ELMNATP53L3MBTL1
SCHEMBL4902737 0.79 GLA (0.36) ULK1XDHGLAGAACYP1A2
SCHEMBL4898909 0.77 GAA (0.38) KDM4ELMNAL3MBTL1MEN1KMT2A
SCHEMBL4891830 0.73 HTR1A (0.44) ULK1FLT3HTR1ADRD2HTR2A
SCHEMBL2134591 0.72 FLT3 (0.58) ULK1KDM4ELMNATP53MEN1
SCHEMBL915460 0.72 HRH4 (0.55) ULK1KDM4ELMNAMEN1KMT2A
SCHEMBL30310659 0.72 HRH4 (0.55) ULK1KDM4ELMNAMEN1KMT2A
SCHEMBL914150 0.72 ULK1 (0.67) ULK1KDM4ELMNATP53L3MBTL1
SCHEMBL8655451 0.71 HRH4 (0.56) ULK1KDM4EMEN1KMT2AFLT3

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-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 — — US disclosed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 — — US disclosed
US-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS CREIGHTON CHRISTOPHER J 2008-03-20 — — 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 (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-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ULK1 4425/4885KDM4E 2645/4885LMNA 2932/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ULK1 4425/4885KDM4E 2645/4885LMNA 2932/4885

“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.