SCHEMBL22130222

SCHEMBL22130222

COC(=O)/C(C)=N\Nc1ccc(C2=NNC(=O)CC2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.67
PDE3A Q14432 15/20 0.67
TNNC1 P63316 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL22130224 1.00 PDE3B (0.67) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL24707001 1.00 PDE3B (0.67) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL22130282 0.89 PDE3B (0.70) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL22130281 0.89 PDE3B (0.70) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL26257204 0.86 PDE3B (0.76) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL7286065 0.85 PDE3B (0.71) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL22130244 0.83 PDE3B (0.71) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
SCHEMBL22130064 0.82 PDE3B (0.69) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
Levosimendan SCHEMBL7417215 0.81 PDE3B (1.00) PDE3BPDE3ATNNC1SMN1; SMN2MAPT
Levosimendan SCHEMBL83243 0.81 PDE3B (1.00) PDE3BPDE3ATNNC1SMN1; SMN2MAPT

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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 US claimed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 EP claimed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO claimed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 US disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 EP disclosed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 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 (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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT PDE3B 2067/4885PDE3A 2125/4885TNNC1 4503/4885

“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.