SCHEMBL6847760

SCHEMBL6847760

O=C(CCNCc1ccccc1)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
PLOD2 O00469 1/20 0.57
PLOD3 O60568 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
PLOD1 Q02809 1/20 0.57
HIF1A Q16665 1/20 0.57
RAB9A P51151 1/20 0.51
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49

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
SCHEMBL7441999 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDHIF1ARAB9A
SCHEMBL13563392 0.84 PLOD2 (0.60) ALDH1A1PLOD2PLOD3CYP1A2CYP3A4
SCHEMBL11573760 0.83 DPP4 (0.58) ALDH1A1RAB9AGAATDP1MEN1
SCHEMBL4126847 0.81 ALDH1A1 (0.54) ALDH1A1RAB9ACA1CA9GAA
SCHEMBL13563342 0.81 MAPT (0.63) ALDH1A1HPGDRAB9AGSK3BMAPT
SCHEMBL7348869 0.81 ALDH1A1 (0.61) ALDH1A1RAB9ATDP1MEN1KMT2A
SCHEMBL13519123 0.80 SIGMAR1 (0.49) ALDH1A1PLOD2PLOD3CYP1A2CYP3A4
SCHEMBL13383268 0.79 CA1 (0.60) ALDH1A1HPGDRAB9ACA1TSHR
SCHEMBL11304333 0.78 TDP1 (0.62) ALDH1A1PLOD2PLOD3CYP1A2CYP3A4
SCHEMBL27576387 0.78 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 ALDH1A1 2990/4885PLOD2 759/4885PLOD3 1327/4885

“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.