SCHEMBL2504591

SCHEMBL2504591

COC(=O)CCCc1cn(C)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
HPGD P15428 1/20 0.67
HSD17B10 Q99714 1/20 0.67
LMNA P02545 5/20 0.60
TP53 P04637 4/20 0.60
RXFP1 Q9HBX9 2/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAPT P10636 1/20 0.57
HTR2A P28223 1/20 0.54
GPR84 Q9NQS5 1/20 0.51

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
SCHEMBL1224223 0.92 TP53 (0.60) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL28991551 0.84 KDM4E (0.67) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL28698891 0.84 KDM4E (0.67) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL4012453 0.82 KDM4E (0.65) KDM4EHPGDLMNAKMT2AMEN1
SCHEMBL31498840 0.82 KDM4E (0.65) KDM4EHPGDLMNAKMT2AMEN1
SCHEMBL18413798 0.82 TP53 (0.65) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL28115512 0.81 KDM4E (0.63) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL8555545 0.81 KDM4E (0.46) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL1859925 0.81 POLB (0.64) TP53KMT2AMEN1HDAC1HDAC6
SCHEMBL7004405 0.80 HTR2A (0.73) KDM4EHPGDHSD17B10LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613420-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN Newlink Genetics Corporation (US) 2020-02-26 EP disclosed
US-20110280806-A1 DYE CONJUGATE IMAGING AGENTS GE HEALTHCARE AS (NO) 2011-11-17 US disclosed
US-20110280806-A1 DYE CONJUGATE IMAGING AGENTS GE HEALTHCARE AS (NO) 2011-11-17 US disclosed
EP-2373349-A1 DYE CONJUGATE IMAGING AGENTS GE Healthcare AS (NO) 2011-10-12 EP disclosed
WO-2010057944-A9 DYE CONJUGATE IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-09-16 WO disclosed
WO-2010057944-A9 DYE CONJUGATE IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-09-16 WO disclosed
WO-2010057944-A1 DYE CONJUGATE IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-05-27 WO disclosed
WO-2010057944-A1 DYE CONJUGATE IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-05-27 WO disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 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-20110280806-A1 DYE CONJUGATE IMAGING AGENTS DSC1, SDCBP, DOCK5 KDM4E 3469/4885HPGD 2178/4885HSD17B10 1367/4885

“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.