SCHEMBL25868533

SCHEMBL25868533

C=C(N)c1cc(NC(=O)c2nn(CCCN)c3ccccc23)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.47
ROCK1 Q13464 6/20 0.46
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CNR1 P21554 6/20 0.44
CNR2 P34972 4/20 0.44
HPGD P15428 1/20 0.43
PTK2B Q14289 1/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL15183144 0.93 KDM4E (0.52) HTR3AROCK1KDM4ENPSR1CNR1
SCHEMBL15605576 0.85 KDM4E (0.51) ROCK1KDM4ENPSR1CNR1CNR2
SCHEMBL10182574 0.83 ROCK1 (0.49) HTR3AROCK1KDM4ENPSR1HPGD
SCHEMBL10182068 0.81 ROCK1 (0.47) HTR3AROCK1KDM4ENPSR1HPGD
SCHEMBL14955577 0.81 ROCK1 (0.53) ROCK1KDM4ENPSR1HPGDPTK2B
SCHEMBL10183283 0.79 HDAC3 (0.52) HTR3AROCK1KDM4ENPSR1HPGD
SCHEMBL14956087 0.78 ROCK1 (0.50) ROCK1KDM4ENPSR1HPGDPTK2B
SCHEMBL570538 0.77 ROCK1 (0.44) HTR3AROCK1KDM4ENPSR1HPGD
SCHEMBL10182441 0.74 HDAC1 (0.46) HTR3AROCK1KDM4ENPSR1HPGD
SCHEMBL10183958 0.74 HDAC1 (0.46) HTR3AROCK1KDM4ENPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A HTR3A 2298/4885ROCK1 3994/4885KDM4E 4040/4885

“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.