SCHEMBL30060433

SCHEMBL30060433

COc1ccc2c(N3CCNCC3)cc(=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
KDR P35968 1/20 0.55
HTR3A P46098 4/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCF1 P14598 1/20 0.50
ADRB1 P08588 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 4/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HTR7 P34969 2/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL30059061 0.80 KDR (0.59) KDRHTR3AHTR3EHTR3BHTR3D
SCHEMBL30059045 0.80 KDR (0.80) KDRADRB1HTR1AHTR7
SCHEMBL5124241 0.77 KDR (0.68) KDM4EKDRHTR3AHTR3EHTR3B
SCHEMBL31521684 0.77 KDR (0.68) KDM4EKDRHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL9128302 0.76 KDR (0.66) KDM4EKDRHTR3AHTR3EHTR3B
SCHEMBL6637833 0.74 ADRB1 (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30634405 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL394584 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4751829 0.73 KDR (0.58) KDM4EKDRNCF1ADRB1
SCHEMBL21256026 0.71 HTR3A (0.58) KDM4EHTR3AHTR3EHTR3BHTR3D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof MBD Co., Ltd. (KR) 2026-04-28 US disclosed
US-20240287032-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF MBD Co., Ltd. (KR) 2024-08-29 US disclosed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 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-20240287032-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF CYP4B1, CYP4A11, CYP3A4 KDM4E 642/4885KDR 3812/4885HTR3A 777/4885
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof CYP4A11, CYP4B1, CYP4A22 KDM4E 1396/4885KDR 3564/4885HTR3A 287/4885

“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.