SCHEMBL6847209

SCHEMBL6847209

Cc1ccc(C(=O)CCNCCO)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.38
MEN1 O00255 2/20 0.38
GSK3B P49841 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
SCHEMBL16404275 0.83 DAO (0.42) DAOPOLBKMT2ATDP1ALDH1A1
SCHEMBL6847678 0.81 GSK3B (0.57) DAOPOLBKMT2AALDH1A1HPGD
SCHEMBL15979700 0.80 DAO (0.61) DAOPOLBKMT2ATDP1ALDH1A1
SCHEMBL13518298 0.79 GSK3B (0.56) DAOPOLBKMT2AALDH1A1HPGD
SCHEMBL22721115 0.77 DAO (0.57) DAOPOLBKMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL10511950 0.76 DAO (0.44) DAOPOLBKMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL10515150 0.76 DAO (0.44) DAOPOLBKMT2ATDP1ALDH1A1
SCHEMBL24721882 0.75 DAO (0.55) DAOPOLBKMT2ATDP1ALDH1A1
SCHEMBL9372669 0.75 DAO (0.59) DAOPOLBKMT2ATDP1ALDH1A1
SCHEMBL12124440 0.75 KMT2A (0.65) DAOPOLBKMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 DAO 581/4885POLB 3858/4885KMT2A 2055/4885

“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.