SCHEMBL6069754

SCHEMBL6069754

O=c1[nH]c2cc(Br)ccc2c2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 2/20 0.48
METAP2 P50579 1/20 0.47
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
GSK3B P49841 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 1/20 0.44
PARP1 P09874 6/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
SPR P35270 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40

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
SCHEMBL6407884 0.97 HSD17B10 (0.51) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL29452862 0.81 LMNA (0.78) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL1003250 0.81 LMNA (0.78) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL31353091 0.80 WNT3A (0.50) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL31353075 0.80 WNT3A (0.50) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL6646157 0.80 PARP1 (0.50) ALDH1A1LMNAPARP1TNKS2TNK2
SCHEMBL25919036 0.80 PARP1 (0.42) HSD17B10PARP1MEN1KMT2AKCNH2
SCHEMBL6643842 0.80 KDM4E (0.51) ALDH1A1LMNAHSD17B10PARP1KCNH2
SCHEMBL6627508 0.79 MAPT (0.75) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL6554641 0.78 PARP1 (0.53) PARP1KCNH2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
EP-1129077-B9 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-07-20 EP disclosed
EP-1129077-B1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-04-20 EP disclosed
EP-1054869-B1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AG (DE) 2004-09-22 EP disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed
EP-1115708-B1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AG (DE) 2004-04-14 EP disclosed
US-6579883-B1 Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
EP-1129077-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
EP-1054869-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-2000029381-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-1999041240-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-19 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-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 MAPT 3390/4885ALDH1A1 1913/4885LMNA 316/4885
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 MAPT 3021/4885ALDH1A1 260/4885LMNA 3738/4885

“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.