SCHEMBL72992

SCHEMBL72992

COC(=O)c1cnc(C)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MAPK1 P28482 3/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
OPRK1 P41145 1/20 0.51
VCAM1 P19320 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
TPMT P51580 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PSMD14 O00487 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL31440674 1.00 MAPT (0.57) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL11377331 0.86 MAPK1 (0.59) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL26793959 0.85 KMT2A (0.53) MAPTMAPK1POLBKDM4ELMNA
SCHEMBL29907140 0.85 KMT2A (0.53) MAPTMAPK1POLBKDM4ELMNA
SCHEMBL18038271 0.84 MAPK1 (0.57) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL25319432 0.84 MAPT (0.54) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL5248286 0.83 MAPK1 (0.56) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL13285512 0.83 MAPK1 (0.56) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL70813 0.83 MAPT (0.63) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL72187 0.83 MAPT (0.56) MAPTMAPK1POLBL3MBTL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384780-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2025-08-12 US disclosed
CN-120081844-A PARP1 inhibitors and uses thereof 新特拉有限公司 2025-06-03 CN disclosed
CN-118804916-B PARP1 inhibitors and uses thereof 新特拉有限公司 2025-04-01 CN disclosed
EP-4466269-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-11-27 EP disclosed
US-20240368162-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2024-11-07 US disclosed
CN-118804916-A PARP1 inhibitors and uses thereof 新特拉有限公司 2024-10-18 CN disclosed
US-11939329-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2024-03-26 US disclosed
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
CN-116514807-A Naphthyridones derivative and preparation method thereof 上海翰森生物医药科技有限公司 2023-08-01 CN disclosed
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-07-27 US disclosed
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-07-27 US disclosed
WO-2023141290-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-07-27 WO disclosed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 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 (6 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-12384780-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 MAPT 3390/4885MAPK1 2670/4885POLB 55/4885
US-11939329-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 MAPT 3390/4885MAPK1 2670/4885POLB 55/4885
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 MAPT 3390/4885MAPK1 2670/4885POLB 55/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 MAPT 1730/4885MAPK1 3234/4885POLB 34/4885
US-20240368162-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 MAPT 3390/4885MAPK1 2670/4885POLB 55/4885
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ MAPT 843/4885MAPK1 2026/4885POLB 3308/4885

“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.