SCHEMBL7245705

SCHEMBL7245705

O=Cc1ccc2[nH]c(O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.44
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS2 P35354 1/20 0.42
KIF11 P52732 2/20 0.42
ALDH5A1 P51649 3/20 0.38
ABAT P80404 3/20 0.38
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7245711 0.86 CYP2A6 (0.44) CYP2A6KDM4ERAB9APTGS2KIF11
SCHEMBL2361718 0.79 CYP2A6 (0.44) CYP2A6KDM4ERAB9APTGS2KIF11
SCHEMBL4742869 0.79 ALDH1A1 (0.48) CYP2A6KIF11ALDH1A1TDP1BRD4
SCHEMBL889055 0.79 CYP2A6 (0.44) CYP2A6KDM4ERAB9AKIF11ALDH1A1
SCHEMBL19364798 0.79 CYP2A6 (0.44) CYP2A6KDM4ERAB9APTGS2KIF11
SCHEMBL29957251 0.79 CYP2A6 (0.44) CYP2A6KDM4ERAB9APTGS2KIF11
SCHEMBL7649873 0.78 TDP1 (0.47) CYP2A6KDM4ERAB9APTGS2KIF11
SCHEMBL7653937 0.75 NPSR1 (0.53) CYP2A6KDM4EKIF11ALDH1A1TDP1
SCHEMBL18745936 0.75 CCNE2 (0.34) RAB9AALDH1A1MEN1NPC1MAPT
SCHEMBL17919527 0.75 ALDH1A1 (0.43) CYP2A6KDM4EKIF11ALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608086-B2 Selective adrenergic receptor alpha 1C antagonists without significant calcium channel activity; treating benign prostatic hyperplasia, intraocular pressure and inhibiting cholesterol synthesis SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-19 US disclosed
US-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 US disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-6310076-B1 TREATING BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, TREATING DISEASES MEDIATED BY ALPHA-1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-30 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
US-6211198-B1 BENIGN PROSTATE HYPERPLASIA; INTRAOCULAR PRESSURE; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 WO disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 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-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 CYP2A6 482/4885KDM4E 2785/4885RAB9A 3293/4885
US-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B CYP2A6 1329/4885KDM4E 2275/4885RAB9A 2315/4885

“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.