SCHEMBL5089423

SCHEMBL5089423

NCCc1cc2ccccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
BRD4 O60885 1/20 0.51
DAO P14920 1/20 0.51
DDO Q99489 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IL4I1 Q96RQ9 4/20 0.50
TSHR P16473 2/20 0.49
CHEK1 O14757 1/20 0.49
KDR P35968 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
HIF1A Q16665 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL30355103 0.87 MAPK1 (0.51) KDM4EALDH1A1HPGDHSD17B10DAO
SCHEMBL17618004 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL17601025 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8797241 0.83 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13349416 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL1263927 0.80 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL31154599 0.80 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL7646960 0.80 DAO (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL1370758 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4437503 0.79 MAPK1 (0.58) KDM4EALDH1A1HPGDHSD17B10DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351531-B2 Molecules capable of binding to telomere and the like and method with the use of the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-04-01 US disclosed
EP-1164202-B1 MISMATCH-RECOGNIZING MOLECULES JAPAN SCIENCE & TECH AGENCY (JP) 2006-06-07 EP disclosed
US-20040170980-A1 Molecules capable of binding to telomere and the like and method with the use of the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-09-02 US disclosed
US-6607890-B1 Base pairs, mimetics; kits; use to determine/identify a mismatched base pair in a nucleic acid such as DNA or RNA JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-08-19 US disclosed
EP-1302472-A1 MOLECULES CAPABLE OF BINDING TO TELOMERE AND THE LIKE AND METHOD WITH THE USE OF THE SAME Japan Science and Technology Corporation (JP) 2003-04-16 EP disclosed
EP-1164202-A1 MISMATCH-RECOGNIZING MOLECULES Japan Science and Technology Corporation (JP) 2001-12-19 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-20040170980-A1 Molecules capable of binding to telomere and the like and method with the use of the same TERT, LIG1, TELO2 KDM4E 3602/4885ALDH1A1 1209/4885HPGD 3900/4885

“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.