SCHEMBL23701396

SCHEMBL23701396

COc1ccc(N2C(=O)C3CN(Cc4ccccc4)CC3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
GLA P06280 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ACHE P22303 1/20 0.53
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HRH2 P25021 1/20 0.48
RGS4 P49798 1/20 0.48
RGS8 P57771 1/20 0.48
GAA P10253 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
SCHEMBL9042636 0.86 SMN1; SMN2 (0.52) KMT2AMEN1SIGMAR1MAPTALDH1A1
SCHEMBL1749014 0.86 SMN1; SMN2 (0.52) KMT2AMEN1SIGMAR1MAPTALDH1A1
SCHEMBL27400032 0.85 POLB (0.51) KMT2AMEN1MAPTALDH1A1ACHE
Hydrochloric Acid SCHEMBL1749238 0.84 SMN1; SMN2 (0.51) KMT2AMEN1SIGMAR1MAPTALDH1A1
SCHEMBL13835453 0.84 LIPE (0.55) ACHEDRD2DRD3
SCHEMBL13966328 0.84 LIPE (0.55) ACHEDRD2DRD3
SCHEMBL13975855 0.84 LIPE (0.55) ACHEDRD2DRD3
SCHEMBL6572711 0.80 SIGMAR1 (0.64) KMT2AMEN1SIGMAR1ACHEDRD2
SCHEMBL6766331 0.78 DPP4 (0.48) KMT2AMEN1SIGMAR1MAPTALDH1A1
SCHEMBL23199732 0.77 SIGMAR1 (0.59) KMT2AMEN1SIGMAR1MAPTALDH1A1

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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 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 (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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 KMT2A 3462/4885MEN1 4448/4885TSHR 1496/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 KMT2A 3462/4885MEN1 4448/4885TSHR 1496/4885

“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.