SCHEMBL17372010

SCHEMBL17372010

CCOc1cnccc1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.56
AOC1 P19801 8/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
MELK Q14680 1/20 0.46
CYP2E1 P05181 3/20 0.39
CYP2C8 P10632 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2A6 P11509 3/20 0.39
CYP2B6 P20813 3/20 0.39
CYP2C19 P33261 3/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL17372104 0.86 AOC3 (0.47) AOC3AOC1LOXL2CYP2E1CYP2C8
SCHEMBL26781479 0.84 AOC3 (0.46) AOC3AOC1LOXL2MELKCYP2E1
SCHEMBL17150200 0.81 CA12 (0.46) AOC3CA12CA1CA2CA9
SCHEMBL28972711 0.81 AOC3 (0.50) AOC3AOC1LOXL2MELK
SCHEMBL22366624 0.81 AOC3 (0.40) AOC3AOC1CA12CA1CA2
SCHEMBL4893069 0.81 AOC1 (0.53) AOC3AOC1CA12CA1CA2
SCHEMBL17372175 0.81 AOC3 (0.46) AOC3AOC1LOXL2MELKCYP2E1
SCHEMBL29784977 0.81 AOC3 (0.46) AOC3AOC1LOXL2MELKCYP2E1
Hydrochloric Acid SCHEMBL18986455 0.79 AOC1 (0.55) AOC3AOC1CA12CA1CA2
SCHEMBL17372528 0.79 AOC3 (0.56) AOC3AOC1LOXL2MKNK1MKNK2

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-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
EP-3157914-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2018-09-26 EP disclosed
EP-3157914-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 EP disclosed
US-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
WO-2015193339-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 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 (2 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-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BUB1, BUB1B, AURKB AOC3 4122/4885AOC1 4511/4885CA12 4731/4885
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BUB1, BUB1B, AURKB AOC3 4122/4885AOC1 4511/4885CA12 4731/4885

“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.