SCHEMBL9913668

SCHEMBL9913668

O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 2/20 0.65
CYP3A4 P08684 2/20 0.65
HTR1A P08908 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
ABCG2 Q9UNQ0 11/20 0.53
ABCB1 P08183 7/20 0.53
MTHFD2 P13995 1/20 0.52
HSD17B10 Q99714 3/20 0.50
NPC1 O15118 2/20 0.50
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE5A O76074 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL2822324 0.90 ALDH1A1 (0.60) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL998068 0.82 ALDH1A1 (0.60) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL12111749 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDLMNACYP3A4
Rhetsinine SCHEMBL14478778 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDLMNACYP3A4
Rhetsinine SCHEMBL31032978 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL272586 0.75 NR1H4 (0.61) KDM4EALDH1A1LMNACYP3A4ABCG2
SCHEMBL1000290 0.74 LMNA (0.57) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL6492381 0.74 CDK4 (0.63) LMNAMTHFD2CDK4CCND1
SCHEMBL1311759 0.74 KDM4E (0.64) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL11844405 0.74 MTHFD2 (0.88) LMNAABCG2ABCB1MTHFD2CDK4

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 2 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-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 KDM4E 2311/4885ALDH1A1 45/4885HPGD 435/4885

“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.