SCHEMBL9564464

SCHEMBL9564464

CN1CCN(c2nc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 5/20 0.52
MAPK1 P28482 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SIRT6 Q8N6T7 5/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
GAA P10253 1/20 0.46
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 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
SCHEMBL30434695 1.00 POLB (0.58) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL101570 0.86 ALDH1A1 (0.69) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL11011738 0.83 POLB (0.60) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL3538908 0.83 TDP1 (0.59) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL952111 0.82 POLB (0.58) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL3239219 0.82 CYP1A2 (0.59) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL9437331 0.82 L3MBTL1 (0.64) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL22120606 0.81 POLB (0.56) POLBTDP1L3MBTL1MAPTMAPK1
SCHEMBL30435070 0.80 SIRT6 (0.54) POLBTDP1MAPTMAPK1ALDH1A1
SCHEMBL29074136 0.80 POLB (0.55) POLBTDP1L3MBTL1MAPTMAPK1

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-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
EP-4215529-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoibio Inc. (KR) 2023-07-26 EP disclosed
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 CN disclosed
WO-2022060196-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 보로노이바이오 주식회사 2022-03-24 WO disclosed
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP 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-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT ERBB4, ERBB2, ERBB3 POLB 3992/4885TDP1 4429/4885L3MBTL1 4480/4885

“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.