SCHEMBL3364022

SCHEMBL3364022

O=C(O)Cn1c2c(c3ccccc31)CCN(CCc1ccccc1)C2=S

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 18/20 0.80
AKR1B1 P15121 18/20 0.80
AKR1A1 P14550 12/20 0.80
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL2822172 0.89 AKR1B1 (1.00) AKR1B10AKR1B1AKR1A1
SCHEMBL3362222 0.89 AKR1B10 (0.63) AKR1B10AKR1B1AKR1A1KMT2A
SCHEMBL2822656 0.80 AKR1B10 (0.75) AKR1B10AKR1B1AKR1A1
SCHEMBL2820584 0.80 AKR1B10 (0.69) AKR1B10AKR1B1AKR1A1KDM4EMEN1
SCHEMBL2821122 0.79 AKR1B10 (1.00) AKR1B10AKR1B1AKR1A1KDM4EMEN1
SCHEMBL2820624 0.78 AKR1B1 (1.00) AKR1B10AKR1B1AKR1A1
SCHEMBL2824962 0.78 AKR1B1 (1.00) AKR1B10AKR1B1AKR1A1
SCHEMBL2824832 0.78 AKR1B10 (0.78) AKR1B10AKR1B1AKR1A1KMT2A
SCHEMBL2820228 0.78 AKR1B1 (1.00) AKR1B10AKR1B1AKR1A1
SCHEMBL9913674 0.77 AKR1B1 (1.00) AKR1B10AKR1B1AKR1A1

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-8198447-B2 Fused tricyclic compound having aldose reductase inhibitory activity NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2012-06-12 US disclosed
US-8198447-B2 Fused tricyclic compound having aldose reductase inhibitory activity NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2012-06-12 US disclosed
US-8198447-B2 Fused tricyclic compound having aldose reductase inhibitory activity NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2012-06-12 US disclosed
US-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2010-06-10 US disclosed
US-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2010-06-10 US disclosed
US-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2010-06-10 US 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-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY AKR1C4, AKR1C2, AKR1C3 AKR1B10 10/4885AKR1B1 4/4885AKR1A1 7/4885

“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.