SCHEMBL6847648

SCHEMBL6847648

CCCCN(CCC(=O)c1ccncc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.52
THRB P10828 3/20 0.52
BCHE P06276 2/20 0.44
ACHE P22303 1/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLOD1 Q02809 1/20 0.44
HIF1A Q16665 1/20 0.44
ACKR3 P25106 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL13562639 0.88 BCHE (0.50) BCHEACHEPLOD2PLOD3ALDH1A1
SCHEMBL16404282 0.86 GAA (0.49) THRATHRBPLOD2L3MBTL1KMT2A
SCHEMBL13562563 0.85 CYP1A2 (0.47) ACHEPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL6847797 0.85 THRA (0.55) THRATHRBBCHEACHEACKR3
SCHEMBL13562477 0.81 THRA (0.57) THRATHRBKMT2AHDAC3HDAC1
SCHEMBL6848131 0.80 BCHE (0.58) THRATHRBBCHEACHEALDH1A1
SCHEMBL13562470 0.80 KMT2A (0.61) THRATHRBPLOD2PLOD3ALDH1A1
Acetone SCHEMBL27748254 0.79 MAPT (0.56) BCHEACHEACKR3KMT2AHDAC3
SCHEMBL6848136 0.78 TMEM97 (0.46) THRATHRBBCHEACHEALDH1A1
SCHEMBL8725187 0.77 KMT2A (0.59) ALDH1A1CYP3A4HPGDCYP2C19L3MBTL1

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 5 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-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 THRA 3028/4885THRB 3278/4885BCHE 2372/4885

“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.