SCHEMBL633796

SCHEMBL633796

O=C1NCCC[C@H]1N1Cc2cscc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IKZF2 Q9UKS7 4/20 0.32
BRD4 O60885 1/20 0.32
TNF P01375 1/20 0.32
IL1B P01584 1/20 0.32
IKZF1 Q13422 1/20 0.32
DDB1 Q16531 1/20 0.32
IKZF3 Q9UKT9 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
SCHEMBL633446 1.00 CRBN (0.39) CRBNKDM4EALDH1A1IKZF2BRD4
SCHEMBL633375 1.00 CRBN (0.39) CRBNKDM4EALDH1A1IKZF2BRD4
SCHEMBL20263284 0.96 CRBN (0.39) CRBNKDM4EALDH1A1IKZF2
SCHEMBL20263281 0.96 CRBN (0.39) CRBNKDM4EALDH1A1IKZF2
SCHEMBL20263516 0.81 CRBN (0.55) CRBNIKZF2BRD4TNFIL1B
SCHEMBL20263519 0.81 CRBN (0.55) CRBNIKZF2BRD4TNFIL1B
SCHEMBL20128640 0.79 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL634039 0.78 CRBN (0.65) CRBNALDH1A1IKZF2BRD4TNF
SCHEMBL633819 0.76 CRBN (0.40) CRBNKDM4EALDH1A1BRD4TNF
SCHEMBL632573 0.76 CRBN (0.40) CRBNKDM4EALDH1A1BRD4TNF

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
EP-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 US disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 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 (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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 CRBN 2750/4885KDM4E 3393/4885ALDH1A1 624/4885

“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.